2-amino-N-(diphenylmethyl)acetamide hydrochloride

• ChemBase ID: 124872
• Molecular Formular: C15H17ClN2O
• Molecular Mass: 276.76128
• Monoisotopic Mass: 276.10294085
• SMILES: N(C(c1ccccc1)c1ccccc1)C(=O)CN.Cl
• Canonical SMILES: NCC(=O)NC(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C15H16N2O.ClH/c16-11-14(18)17-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,15H,11,16H2,(H,17,18);1H
• InChIKey: IBFZJJZCBQAWRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(diphenylmethyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(diphenylmethyl)acetamide hydrochloride
• Synonyms: 2-amino-N-benzhydrylacetamide hydrochloride

Database IDs

• PubChem SID: 162219225
• PubChem CID: 52997049

CALCULATED PROPERTIES

• Acid pKa: 13.290851
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.71441144
• LogD (pH = 7.4): 0.9688686
• Log P: 1.7779711
• Molar Refractivity: 71.6177 cm^3
• Polarizability: 28.200571 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl