N-{4-[(4-acetamidophenyl)methyl]phenyl}acetamide

• ChemBase ID: 313177
• Molecular Formular: C17H18N2O2
• Molecular Mass: 282.33702
• Monoisotopic Mass: 282.13682783
• SMILES: c1(Cc2ccc(cc2)NC(=O)C)ccc(cc1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C17H18N2O2/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
• InChIKey: OEXMNSOPAKOPEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(4-acetamidophenyl)methyl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(4-acetamidophenyl)methyl]phenyl}acetamide
• Synonyms: FH1(BRD-K4477)

Database IDs

• CAS Number: 2719-05-3

CALCULATED PROPERTIES

• Acid pKa: 14.279372
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5404606
• LogD (pH = 7.4): 2.5404606
• Log P: 2.5404606
• Molar Refractivity: 85.5212 cm^3
• Polarizability: 31.442268 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base