4-METHYL-N-(2-OXO-2-(PHENYLAMINO)ETHYL)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 UCFZUECWNYMLRB-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)C(=O)NCC(=O)Nc2ccccc2
InChI
InChI=1S/C16H16N2O2/c1-12-7-9-13(10-8-12)16(20)17-11-15(19)18-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,20)(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16N2O2
Molecular Weight 268.31
AlogP 2.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEMBL CHEMBL2299188
PubChem 4010991
ZINC ZINC06204299
CONTENTS