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

• ChemBase ID: 23394
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(c1ccc(N)cc1)NCCc1ccccc1
• Canonical SMILES: Nc1ccc(cc1)C(=O)NCCc1ccccc1
• InChI: InChI=1S/C15H16N2O/c16-14-8-6-13(7-9-14)15(18)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
• InChIKey: MIHLCBDTDZSJDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 4-amino-N-(2-phenylethyl)benzamide
• Synonyms: 4-Amino-N-phenethylbenzamide; 4-amino-N-(2-phenylethyl)benzamide

Database IDs

• CAS Number: 61251-99-8
• MDL Number: MFCD00578787
• PubChem SID: 160986701
• PubChem CID: 847754

CALCULATED PROPERTIES

• Acid pKa: 15.764703
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2286525
• LogD (pH = 7.4): 2.2317312
• Log P: 2.2317705
• Molar Refractivity: 74.1011 cm^3
• Polarizability: 27.586107 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.051

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%