2-amino-N-(2-cyanophenyl)-6-methylbenzamide

C15H13N3O — CID 16781189

IUPAC2-amino-N-(2-cyanophenyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H13N3O/c1-10-5-4-7-12(17)14(10)15(19)18-13-8-3-2-6-11(13)9-16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyBTLPOEOWFMQIDU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-N-(2-cyanophenyl)-6-methylbenzamide

2-amino-N-(2-cyanophenyl)-6-methylbenzamide (PubChem CID 16781189) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-(2-cyanophenyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanophenyl)-6-methylbenzamide
PubChem CID16781189
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-amino-N-(2-cyanophenyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H13N3O/c1-10-5-4-7-12(17)14(10)15(19)18-13-8-3-2-6-11(13)9-16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyBTLPOEOWFMQIDU-UHFFFAOYSA-N
XLogP2.70
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(2-cyanophenyl)-6-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-methyl-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574320
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 60861854
N-(2-cyanophenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110864709
2-(2-amino-6-methylanilino)benzonitrile
CID 113333675
(2-cyanophenyl)urea
CID 13155570
2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
CID 62301838
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanophenyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(2-cyanophenyl)-6-methylbenzamide (CID 16781189) is 2-amino-N-(2-cyanophenyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-cyanophenyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-cyanophenyl)-6-methylbenzamide is Cc1cccc(N)c1C(=O)Nc1ccccc1C#N.
What is the InChIKey of 2-amino-N-(2-cyanophenyl)-6-methylbenzamide?
The InChIKey is BTLPOEOWFMQIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-5-4-7-12(17)14(10)15(19)18-13-8-3-2-6-11(13)9-16/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2-cyanophenyl)-6-methylbenzamide?
2-amino-N-(2-cyanophenyl)-6-methylbenzamide has a molecular weight of 251.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanophenyl)-6-methylbenzamide is sourced from PubChem (CID 16781189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).