(E)-N-(4-((TERT-BUTOXYIMINO)METHYL)PHENYLCARBAMOYL)-2,6-DIFLUOROBENZAMIDE

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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 DFLWRURXMMLCAH-SSDVNMTOSA-N
Smiles CC(C)(C)O\N=C\c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1
InChI
InChI=1S/C19H19F2N3O3/c1-19(2,3)27-22-11-12-7-9-13(10-8-12)23-18(26)24-17(25)16-14(20)5-4-6-15(16)21/h4-11H,1-3H3,(H2,23,24,25,26)/b22-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19F2N3O3
Molecular Weight 375.37
AlogP 3.6
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 79.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against Plutella xylostella (diamondback moth) s-instar larvae infested on compound pre-treated fresh cabbage leaves assessed as larvicidal activity measured 3 days post treatment Plutella xylostella 30.78 ug.mL-1
Insecticidal activity against Culex pipiens pallens (mosquito) fourth-instar larvae assessed as larvicidal activity at 0.0005 mg/L measured 8 days post treatment Culex pipiens pallens 20.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) fourth-instar larvae assessed as larvicidal activity at 0.001 mg/L measured 8 days post treatment Culex pipiens pallens 70.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) fourth-instar larvae assessed as larvicidal activity at 0.005 mg/L measured 8 days post treatment Culex pipiens pallens 100.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) fourth-instar larvae infested compound pre-treated corn leaves assessed as larvicidal activity at 0.25 mg/L measured 4 days post treatment Mythimna separata 0.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) fourth-instar larvae infested compound pre-treated corn leaves assessed as larvicidal activity at 0.5 mg/L measured 4 days post treatment Mythimna separata 85.0 %
Insecticidal activity against Mythimna separata (Oriental armyworm) fourth-instar larvae infested compound pre-treated corn leaves assessed as larvicidal activity at 1 mg/L measured 4 days post treatment Mythimna separata 100.0 %
Ratio of larvicidal activity of compound to larvicidal activity of Flucycloxuron for fourth-instar larval stage of Culex pipiens pallens (mosquito) measured after 8 days Culex pipiens pallens 10.0
Ratio of Flucycloxuron LC50 to compound LC50 for fourth-instar larval stage of Mythimna separata (Oriental armyworm) measured after 4 days Mythimna separata 5.0
Larvicidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.0005 mg/l at 25 +/-1 degC after 8 days Culex pipiens pallens 20.0 %
Larvicidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.001 mg/l at 25 +/-1 degC after 8 days Culex pipiens pallens 70.0 %
Larvicidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.0025 mg/l at 25 +/-1 degC after 8 days Culex pipiens pallens 90.0 %
Larvicidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.005 mg/l at 25 +/-1 degC after 8 days Culex pipiens pallens 100.0 %
Larvicidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.01 mg/l at 25 +/-1 degC after 8 days Culex pipiens pallens 100.0 %
Larvicidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.05 mg/l at 25 +/-1 degC after 8 days Culex pipiens pallens 100.0 %
Larvicidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.025 mg/l at 25 +/-1 degC after 8 days Culex pipiens pallens 100.0 %
Larvicidal activity against fourth-instar larval stage of Culex pipiens pallens (mosquito) assessed as mortality at 0.1 mg/l at 25 +/-1 degC after 8 days Culex pipiens pallens 100.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 5 mg/l at 25 +/-1 degC after 4 days Mythimna separata 100.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 10 mg/l at 25 +/-1 degC after 4 days Mythimna separata 100.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 25 mg/l at 25 +/-1 degC after 4 days Mythimna separata 100.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 0.25 mg/l at 25 +/-1 degC after 4 days Mythimna separata 0.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 0.5 mg/l at 25 +/-1 degC after 4 days Mythimna separata 85.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 2.5 mg/l at 25 +/-1 degC after 4 days Mythimna separata 100.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 1 mg/l at 25 +/-1 degC after 4 days Mythimna separata 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2227805
PubChem 25171732
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