N-(2-amino-4-methylphenyl)benzamide

• ChemBase ID: 310593
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(Nc1c(cc(cc1)C)N)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)N)NC(=O)c1ccccc1
• InChI: InChI=1S/C14H14N2O/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: UAPLIDKCIZPXGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-methylphenyl)benzamide
• IUPAC Traditional name: N-(2-amino-4-methylphenyl)benzamide
• Synonyms: N-(2-amino-4-methylphenyl)benzamide

Database IDs

• CAS Number: 53476-33-8
• MDL Number: MFCD00447030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7453861
• LogD (pH = 7.4): 2.7495723
• Log P: 2.7496262
• Molar Refractivity: 71.3331 cm^3
• Polarizability: 25.849728 Å^3
• Polar Surface Area: 55.12 Å^2