2-AMINO-N-(3-TOLYL)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 ZLUXETNDOIBMSR-UHFFFAOYSA-N
Smiles Cc1cccc(NC(=O)c2ccccc2N)c1
InChI
InChI=1S/C14H14N2O/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-9H,15H2,1H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14N2O
Molecular Weight 226.27
AlogP 2.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 55.12
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL36844
PubChem 2467368
SureChEMBL SCHEMBL259352
ZINC ZINC03350342
CONTENTS