2-(benzylamino)-N-(2-phenylphenyl)acetamide

• ChemBase ID: 16446
• Molecular Formular: C21H20N2O
• Molecular Mass: 316.3963
• Monoisotopic Mass: 316.15756327
• SMILES: c1(c(NC(=O)CNCc2ccccc2)cccc1)c1ccccc1
• Canonical SMILES: O=C(Nc1ccccc1c1ccccc1)CNCc1ccccc1
• InChI: InChI=1S/C21H20N2O/c24-21(16-22-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14,22H,15-16H2,(H,23,24)
• InChIKey: RCFOMKLWZQJHRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzylamino)-N-(2-phenylphenyl)acetamide
• IUPAC Traditional name: 2-(benzylamino)-N-(2-phenylphenyl)acetamide
• Synonyms: 2-Benzylamino-N-biphenyl-2-yl-acetamide

Database IDs

• MDL Number: MFCD01156955
• PubChem SID: 160979753
• PubChem CID: 789530

CALCULATED PROPERTIES

• Acid pKa: 12.912025
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4966637
• LogD (pH = 7.4): 3.2252243
• Log P: 4.091105
• Molar Refractivity: 98.8041 cm^3
• Polarizability: 39.248486 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false