2-amino-N,3-diphenylpropanamide hydrochloride

• ChemBase ID: 49676
• Molecular Formular: C15H17ClN2O
• Molecular Mass: 276.76128
• Monoisotopic Mass: 276.10294085
• SMILES: C(=O)(Nc1ccccc1)C(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)Nc1ccccc1)Cc1ccccc1.Cl
• InChI: InChI=1S/C15H16N2O.ClH/c16-14(11-12-7-3-1-4-8-12)15(18)17-13-9-5-2-6-10-13;/h1-10,14H,11,16H2,(H,17,18);1H
• InChIKey: NGVUUNWHDQPQKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,3-diphenylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N,3-diphenylpropanamide hydrochloride
• Synonyms: 2-Amino-N,3-diphenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562612
• PubChem SID: 162054439
• PubChem CID: 22169075

CALCULATED PROPERTIES

• Acid pKa: 13.363028
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.12327489
• LogD (pH = 7.4): 1.8173442
• Log P: 2.5119169
• Molar Refractivity: 73.3936 cm^3
• Polarizability: 28.195742 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false