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

• ChemBase ID: 22941
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: c1(c(NC(=O)Cc2ccccc2)cccc1N)C
• Canonical SMILES: O=C(Nc1cccc(c1C)N)Cc1ccccc1
• InChI: InChI=1S/C15H16N2O/c1-11-13(16)8-5-9-14(11)17-15(18)10-12-6-3-2-4-7-12/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: AFOSEVRXIVRKNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09815200
• PubChem SID: 160986248
• PubChem CID: 20113508

CALCULATED PROPERTIES

• Acid pKa: 14.065855
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7192578
• LogD (pH = 7.4): 2.7296572
• Log P: 2.7297914
• Molar Refractivity: 75.3845 cm^3
• Polarizability: 27.718792 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false