3-amino-N-(2-phenylethyl)benzamide hydrochloride

• ChemBase ID: 123526
• Molecular Formular: C15H17ClN2O
• Molecular Mass: 276.76128
• Monoisotopic Mass: 276.10294085
• SMILES: C(=O)(c1cc(N)ccc1)NCCc1ccccc1.Cl
• Canonical SMILES: Nc1cccc(c1)C(=O)NCCc1ccccc1.Cl
• InChI: InChI=1S/C15H16N2O.ClH/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12;/h1-8,11H,9-10,16H2,(H,17,18);1H
• InChIKey: LIORQUUVQBMEMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(2-phenylethyl)benzamide hydrochloride
• IUPAC Traditional name: 3-amino-N-(2-phenylethyl)benzamide hydrochloride
• Synonyms: 3-amino-N-phenethylbenzamide hydrochloride

Database IDs

• PubChem SID: 162217879
• PubChem CID: 50851071

CALCULATED PROPERTIES

• Acid pKa: 15.1453705
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2293615
• LogD (pH = 7.4): 2.2317402
• Log P: 2.2317705
• Molar Refractivity: 74.1011 cm^3
• Polarizability: 27.586971 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl