N-(4-CHLORO-2-METHYLPHENYL)-4-(1,3-DIOXOISOINDOLIN-2-YL)BUTANAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
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 PXLFJRWSUJMXEF-UHFFFAOYSA-N
Smiles Cc1cc(Cl)ccc1NC(=O)CCCN2C(=O)c3ccccc3C2=O
InChI
InChI=1S/C19H17ClN2O3/c1-12-11-13(20)8-9-16(12)21-17(23)7-4-10-22-18(24)14-5-2-3-6-15(14)19(22)25/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17ClN2O3
Molecular Weight 356.8
AlogP 3.22
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 66.48
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Cross References

Resources Reference
ChEMBL CHEMBL2236944
PubChem 2235905
ZINC ZINC02883566
CONTENTS