2-{[(4-phenylphenyl)methyl]amino}acetamide

• ChemBase ID: 262914
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(N)CNCc1ccc(c2ccccc2)cc1
• Canonical SMILES: NC(=O)CNCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C15H16N2O/c16-15(18)11-17-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H2,16,18)
• InChIKey: FJAMEVUFMLLKDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(4-phenylphenyl)methyl]amino}acetamide
• IUPAC Traditional name: 2-{[(4-phenylphenyl)methyl]amino}acetamide
• Synonyms: 2-{[(4-phenylphenyl)methyl]amino}acetamide

Database IDs

• MDL Number: MFCD09043028
• PubChem SID: 164318824
• PubChem CID: 16770741

CALCULATED PROPERTIES

• Acid pKa: 16.316963
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7104005
• LogD (pH = 7.4): 1.021376
• Log P: 1.8498607
• Molar Refractivity: 72.349 cm^3
• Polarizability: 29.611744 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.239

Product Information

• Purity: 95%