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

• ChemBase ID: 311422
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(Nc1c(cc(cc1)C)N)c1c(C)cccc1
• Canonical SMILES: Cc1ccc(c(c1)N)NC(=O)c1ccccc1C
• InChI: InChI=1S/C15H16N2O/c1-10-7-8-14(13(16)9-10)17-15(18)12-6-4-3-5-11(12)2/h3-9H,16H2,1-2H3,(H,17,18)
• InChIKey: NRWBZFQBGFCWMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 402577-84-8
• MDL Number: MFCD02031950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2584918
• LogD (pH = 7.4): 3.2629898
• Log P: 3.2630475
• Molar Refractivity: 76.3743 cm^3
• Polarizability: 27.616735 Å^3
• Polar Surface Area: 55.12 Å^2