CHLORFENAPYR

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Molecule Category Free-form
UNII NWI20P05EB
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key CWFOCCVIPCEQCK-UHFFFAOYSA-N
Smiles CCOCn1c(c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F
InChI
InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11BrClF3N2O
Molecular Weight 407.61
AlogP 5.67
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 37.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against Tetranychus cinnabarinus (carmine spider mite) infested on Sieva bean plants leaves exposed to compound formulation at 50 mg/kg assessed as insect mortality measured 2 days post compound treatment Tetranychus cinnabarinus 93.0 %
Insecticidal activity against Tetranychus cinnabarinus (carmine spider mite) infested on Sieva bean plants leaves exposed to compound formulation at 100 mg/kg assessed as insect mortality measured 2 days post compound treatment Tetranychus cinnabarinus 97.0 %
Insecticidal activity against Tetranychus cinnabarinus (carmine spider mite) infested on Sieva bean plants leaves exposed to compound formulation at 200 mg/kg assessed as insect mortality measured 2 days post compound treatment Tetranychus cinnabarinus 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) fourth-instar larvae assessed as insect mortality at 0.1 mg/kg measured 2 days post compound treatment Culex pipiens pallens 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) fourth-instar larvae assessed as insect mortality at 0.25 mg/kg measured 2 days post compound treatment Culex pipiens pallens 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) fourth-instar larvae assessed as insect mortality at 0.5 mg/kg measured 2 days post compound treatment Culex pipiens pallens 100.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) fourth-instar larvae infested compound pre-treated corn leaves assessed as insect mortality at 5 mg/kg measured 2 days post compound treatment Mythimna separata 0.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) fourth-instar larvae infested compound pre-treated corn leaves assessed as insect mortality at 10 mg/kg measured 2 days post compound treatment Mythimna separata 100.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) fourth-instar larvae infested compound pre-treated corn leaves assessed as insect mortality at 20 mg/kg measured 2 days post compound treatment Mythimna separata 100.0 %
Toxic ratio, ratio of Chlorfenapyr LC50 to compound LC50 for apterous adult stage of Aphis fabae (black bean aphids) measured after 48 hr Aphis fabae 1.0
Insecticidal activity against apterous adult stage of Aphis fabae (black bean aphids) in soybean tender shoots assessed as mortality treated for 5 secs measured after 48 hr Aphis fabae 12.23 ug.mL-1
Toxic ratio, ratio of Chlorfenapyr LC50 to compound LC50 for third-instar larval stage of Nephotettix cincticeps (green rice leafhopper) measured after 48 hr by seedling-dipping method Nephotettix cincticeps 1.0
Insecticidal activity against third instar larval stage of Nephotettix cincticeps (green rice leafhopper) in rice seedlings assessed as mortality treated for 15 secs before larval infestation measured after 48 hr by seedling-dipping method Nephotettix cincticeps 26.82 ug.mL-1
Toxic ratio, ratio of Chlorfenapyr LC50 to compound LC50 for second-instar larval stage of Plutella xylostella (diamondback moth) by leaf disk assay Plutella xylostella 1.0
Insecticidal activity against second-instar larval stage of Plutella xylostella (diamondback moth) in fresh cabbage leaves assessed as mortality treated for 15 secs before larval infestation by leaf disk assay Plutella xylostella 1.82 ug.mL-1
Toxic ratio, ratio of Chlorfenapyr LC50 to compound LC50 for adult two spot Tetranychus cinnabarinus (carmine spider mite) measured after 24 hr by slide immersion method Tetranychus cinnabarinus 1.0
Acaricidal activity against adult two spot Tetranychus cinnabarinus (carmine spider mite) assessed as mortality at 25 +/-2 degC treated for 10 secs measured after 24 hr by slide immersion method Tetranychus cinnabarinus 1.14 ug.mL-1
Acaricidal activity against adult Tetranychus cinnabarinus (carmine spider mite) in sieva bean plants assessed as mortality at 50 mg/kg treated for 3 secs measured after 2 days Tetranychus cinnabarinus 93.0 %
Acaricidal activity against adult Tetranychus cinnabarinus (carmine spider mite) in sieva bean plants assessed as mortality at 100 mg/kg treated for 3 secs measured after 2 days Tetranychus cinnabarinus 97.0 %
Acaricidal activity against adult Tetranychus cinnabarinus (carmine spider mite) in sieva bean plants assessed as mortality at 200 mg/kg treated for 3 secs measured after 2 days Tetranychus cinnabarinus 100.0 %
Insecticidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.10 mg/kg at 25 +/-1 degC after 2 days Culex pipiens pallens 100.0 %
Insecticidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.25 mg/kg at 25 +/-1 degC after 2 days Culex pipiens pallens 100.0 %
Insecticidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.50 mg/kg at 25 +/-1 degC after 2 days Culex pipiens pallens 100.0 %
Insecticidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound pretreated corn leaves assessed as mortality at 5 mg/kg at 25 +/-1 degC measured after 2 days Mythimna separata 0.0 %
Insecticidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound pretreated corn leaves assessed as mortality at 10 mg/kg at 25 +/-1 degC measured after 2 days Mythimna separata 100.0 %
Insecticidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound pretreated corn leaves assessed as mortality at 20 mg/kg at 25 +/-1 degC measured after 2 days Mythimna separata 100.0 %
In vivo insecticidal activity against Mythimna separata (Oriental armyworm) assessed as mortality after 72 hr Mythimna separata 18.5 ug.mL-1
In vivo insecticidal activity against Mythimna separata (Oriental armyworm) assessed as mortality at 500 ug/ml after 72 hr Mythimna separata 100.0 %
Hydrophobicity, log P of the compound in octanol-water by shaking-flask method None 4.83
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) eggs assessed as mortality at 100 mg/L Tetranychus cinnabarinus 100.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) eggs assessed as mortality at 200 mg/L Tetranychus cinnabarinus 100.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) larvae assessed as mortality at 100 mg/L Tetranychus cinnabarinus 100.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) larvae assessed as mortality at 200 mg/L Tetranychus cinnabarinus 100.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) assessed as mortality at 100 mg/L Tetranychus cinnabarinus 100.0 %
Acaricidal activity against Tetranychus cinnabarinus (carmine spider mite) assessed as mortality at 200 mg/L Tetranychus cinnabarinus 100.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) assessed as mortality at 25 mg/L Mythimna separata 100.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) assessed as mortality at 50 mg/L Mythimna separata 100.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) assessed as mortality at 100 mg/L Mythimna separata 100.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) assessed as mortality at 200 mg/L Mythimna separata 100.0 %
Insecticidal activity against adult Doru luteipes (earwigs) in compound treated maize leaf assessed as insect avoidance by behavioral bioassay Doru None
Relative toxicity in adult Doru luteipes (earwigs) in compound treated maize leaf assessed as mortality measured by time-mortality bioassay Doru 12.48
Insecticidal activity against adult Doru luteipes (earwigs) in compound treated maize leaf assessed as mortality measured by time-mortality bioassay Doru 21.58 hr
Relative toxicity in second instar Spodoptera frugiperda (fall armyworm) in compound treated maize leaf assessed as mortality measured by Time-mortality bioassay Spodoptera frugiperda 6.83
Insecticidal activity in second instar Spodoptera frugiperda (fall armyworm) in compound treated maize leaf assessed as mortality measured by Time-mortality bioassay Spodoptera frugiperda 116.34 min
Selectivity ratio of LC50 for adult earwig species Doru luteipes to LC50 for second instar fall armyworm Spodoptera frugiperda by concentration-mortality bioassay None 22.5
Relative toxicity in adult Doru luteipes (earwigs) in compound treated maize leaf assessed as mortality measured after 48 hr by concentration-mortality bioassay Doru 14000.0
Insecticidal activity against adult Doru luteipes (earwigs) in compound treated maize leaf assessed as mortality measured after 48 hr by concentration-mortality bioassay Doru 53.3 ug.mL-1
Relative toxicity in second instar Spodoptera frugiperda (fall armyworm) in compound treated maize leaf assessed as mortality measured after 48 hr by concentration-mortality bioassay Spodoptera frugiperda 1.78
Insecticidal activity in second instar Spodoptera frugiperda (fall armyworm) in compound treated maize leaf assessed as mortality measured after 48 hr by concentration-mortality bioassay Spodoptera frugiperda 2.37 ug.mL-1
Contact toxicity against Apis mellifera (honey bee) assessed per bee Apis mellifera 1.0 ug
Contact toxicity against Bombus terrestris (bumblebee) assessed per bee Bombus terrestris 100.0 ug
n-octanol-water distribution coefficient, log KOW of the compound None 4.83
Toxicity against Apis mellifera (honey bee) assessed per bee Apis mellifera 0.2 ug
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 240 mg a.i./l, po administered through pollen for 11 weeks measured once a week for 11 weeks Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 240 mg a.i./l, po administered through sugar water for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 240 mg a.i./l applied on the dorsal thorax for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 240 mg a.i./l, po administered through pollen measured after 8 weeks Bombus terrestris 90.0 %
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 240 mg a.i./l, po administered through pollen measured after 5 weeks Bombus terrestris 50.0 %
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 240 mg a.i./l, po administered through pollen for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 90.0 %
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 240 mg a.i./l, po administered through sugar water measured up to 1 week Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 240 mg a.i./l, po administered through sugar water for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 95.0 %
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 240 mg a.i./l applied on the dorsal thorax for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 25.0 %
Cytotoxicity against Spodoptera frugiperda (fall armyworm) Sf9 cells at 0.1 to 10 uM after 72 hr by trypan blue dye exclusion test Spodoptera frugiperda None
Resistance ratio, ratio of LC50 for third-instar larvae of fufenozide-resistant Plutella xylostella (diamondback moth) to LC50 for third-instar larvae of fufenozide-susceptible Plutella xylostella Plutella xylostella 1.11
Insecticidal activity against third-instar larvae of fufenozide-susceptible Plutella xylostella (diamondback moth) assessed as mortality by leaf-dip bioassay method Plutella xylostella 2.96 ug.mL-1
Insecticidal activity against third-instar larvae of fufenozide-resistant Plutella xylostella (diamondback moth) assessed as mortality by leaf-dip bioassay method Plutella xylostella 3.3 ug.mL-1
Reduction of ATP level in Spodoptera frugiperda (fall armyworm) Sf9 cells after 20 to 24 hr by luminescent cell viability assay Spodoptera frugiperda None
Reduction of ATP level in Spodoptera frugiperda (fall armyworm) Sf9 cells at 1 to 10 uM after 4 hr by luminescent cell viability assay Spodoptera frugiperda None

Cross References

Resources Reference
ChEMBL CHEMBL1869551
FDA SRS NWI20P05EB
PubChem 91778
SureChEMBL SCHEMBL40337
ZINC ZINC02381586
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