3-amino-N-(2-methylphenyl)benzamide

• ChemBase ID: 310616
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(Nc1c(C)cccc1)c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)C(=O)Nc1ccccc1C
• InChI: InChI=1S/C14H14N2O/c1-10-5-2-3-8-13(10)16-14(17)11-6-4-7-12(15)9-11/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: WMADIBBIIJEEFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(2-methylphenyl)benzamide
• IUPAC Traditional name: 3-amino-N-(2-methylphenyl)benzamide
• Synonyms: 3-amino-N-(2-methylphenyl)benzamide

Database IDs

• CAS Number: 14315-20-9
• MDL Number: MFCD00440152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7477016
• LogD (pH = 7.4): 2.7496018
• Log P: 2.7496262
• Molar Refractivity: 71.3331 cm^3
• Polarizability: 25.850153 Å^3
• Polar Surface Area: 55.12 Å^2