2-CHLORO-N-(2-METHOXYETHYL)-N-(2-METHYL-1-PHENYLPROP-1-ENYL)ACETAMIDE

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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 FSCDZQUUJUQOGI-UHFFFAOYSA-N
Smiles COCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChI
InChI=1S/C15H20ClNO2/c1-12(2)15(13-7-5-4-6-8-13)17(9-10-19-3)14(18)11-16/h4-8H,9-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20ClNO2
Molecular Weight 281.78
AlogP 2.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Stellaria media assessed as killing at 2.5 g/a at 25 degC measured after 2 weeks Stellaria media 60.0 %
Herbicidal activity against Stellaria media assessed as killing at 10 g/a at 25 degC measured after 2 weeks Stellaria media 80.0 %
Herbicidal activity against Amaranthus blitum subsp. oleraceus assessed as killing at 2.5 g/a at 25 degC measured after 2 weeks Amaranthus blitum subsp. oleraceus 60.0 %
Herbicidal activity against Kummerowia striata assessed as killing at 2.5 g/a at 25 degC measured after 2 weeks Kummerowia striata 80.0 %
Herbicidal activity against Amaranthus blitum subsp. oleraceus assessed as killing at 10 g/a at 25 degC measured after 2 weeks Amaranthus blitum subsp. oleraceus 100.0 %
Herbicidal activity against Poa annua assessed as killing at 2.5 g/a at 25 degC measured after 2 weeks Poa annua 100.0 %
Herbicidal activity against Poa annua assessed as killing at 10 g/a at 25 degC measured after 2 weeks Poa annua 100.0 %
Herbicidal activity against Digitaria ciliaris assessed as killing at 2.5 g/a at 25 degC measured after 2 weeks Digitaria ciliaris 100.0 %
Herbicidal activity against Digitaria ciliaris assessed as killing at 10 g/a at 25 degC measured after 2 weeks Digitaria ciliaris 100.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as killing at 2.5 g/a at 25 degC measured after 2 weeks Setaria viridis 80.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as killing at 10 g/a at 25 degC measured after 2 weeks Setaria viridis 100.0 %
Herbicidal activity against annual broad-leaf weeds assessed as killing at 1 g/a at 25 degC measured after 3 weeks None 100.0 %
Herbicidal activity against annual broad-leaf weeds assessed as killing at 10 g/a at 25 degC measured after 3 weeks None 100.0 %
Herbicidal activity against Monochoria vaginalis assessed as killing at 1 g/a at 25 degC measured after 3 weeks Monochoria vaginalis 100.0 %
Herbicidal activity against Monochoria vaginalis assessed as killing at 10 g/a at 25 degC measured after 3 weeks Monochoria vaginalis 100.0 %
Herbicidal activity against Schoenoplectiella juncoides assessed as killing at 1 g/a at 25 degC measured after 3 weeks Schoenoplectiella juncoides 100.0 %
Herbicidal activity against Schoenoplectiella juncoides assessed as killing at 10 g/a at 25 degC measured after 3 weeks Schoenoplectiella juncoides 100.0 %
Herbicidal activity against Cyperus difformis assessed as killing at 1 g/a at 25 degC measured after 3 weeks Cyperus difformis 100.0 %
Herbicidal activity against Cyperus difformis assessed as killing at 10 g/a at 25 degC measured after 3 weeks Cyperus difformis 100.0 %
Herbicidal activity against Echinochloa oryzicola assessed as killing at 1 g/a at 25 degC measured after 3 weeks Echinochloa oryzicola 100.0 %
Herbicidal activity against Echinochloa oryzicola assessed as killing at 10 g/a at 25 degC measured after 3 weeks Echinochloa oryzicola 100.0 %
Herbicidal activity against Kummerowia striata assessed as killing at 10 g/a at 25 degC measured after 2 weeks Kummerowia striata 80.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2288045
PubChem 13825382
SureChEMBL SCHEMBL6331654
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