2-amino-N-[(4-chlorophenyl)methyl]-2-phenylacetamide hydrochloride

• ChemBase ID: 260297
• Molecular Formular: C15H16Cl2N2O
• Molecular Mass: 311.20634
• Monoisotopic Mass: 310.0639685
• SMILES: C(=O)(NCc1ccc(Cl)cc1)C(c1ccccc1)N.Cl
• Canonical SMILES: O=C(C(c1ccccc1)N)NCc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C15H15ClN2O.ClH/c16-13-8-6-11(7-9-13)10-18-15(19)14(17)12-4-2-1-3-5-12;/h1-9,14H,10,17H2,(H,18,19);1H
• InChIKey: OMYXHNOUHRLFQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[(4-chlorophenyl)methyl]-2-phenylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-[(4-chlorophenyl)methyl]-2-phenylacetamide hydrochloride
• Synonyms: 2-amino-N-[(4-chlorophenyl)methyl]-2-phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD12197164
• PubChem SID: 164316207
• PubChem CID: 45791541

CALCULATED PROPERTIES

• Acid pKa: 14.46516
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.35760435
• LogD (pH = 7.4): 2.0324326
• Log P: 2.5342052
• Molar Refractivity: 76.4976 cm^3
• Polarizability: 30.034363 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226 - 228°C
• Hydrophobicity(logP): 2.602

Product Information

• Purity: 95%