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

• ChemBase ID: 21544
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: c1(C(=O)NCCc2ccccc2)c(N)cccc1
• Canonical SMILES: O=C(c1ccccc1N)NCCc1ccccc1
• InChI: InChI=1S/C15H16N2O/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
• InChIKey: BVUCIDPYOGNAEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 2-amino-N-(2-phenylethyl)benzamide
• Synonyms: 2-Amino-N-phenethylbenzamide; 2-Amino-N-(phenethyl)benzamide; 2-Amino-N-phenethyl-benzamide

Database IDs

• CAS Number: 19050-62-5
• MDL Number: MFCD00578812
• PubChem SID: 160984851
• PubChem CID: 723290

CALCULATED PROPERTIES

• Acid pKa: 15.408563
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8807905
• LogD (pH = 7.4): 2.8817582
• Log P: 2.8817706
• Molar Refractivity: 74.1011 cm^3
• Polarizability: 27.588064 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 2.651

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%