N-(2-(2-METHOXYPHENYLAMINO)-2-OXOETHYL)BENZAMIDE

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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 SIZGATYVKIWWFX-UHFFFAOYSA-N
Smiles COc1ccccc1NC(=O)CNC(=O)c2ccccc2
InChI
InChI=1S/C16H16N2O3/c1-21-14-10-6-5-9-13(14)18-15(19)11-17-16(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,20)(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16N2O3
Molecular Weight 284.31
AlogP 1.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 67.43
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL1350550
PubChem 1262346
ZINC ZINC01074568
CONTENTS