N-(2-acetamidophenyl)acetamide

• ChemBase ID: 87039
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: N(c1ccccc1NC(=O)C)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccccc1NC(=O)C
• InChI: InChI=1S/C10H12N2O2/c1-7(13)11-9-5-3-4-6-10(9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
• InChIKey: RLARNJBPODGLAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-acetamidophenyl)acetamide
• IUPAC Traditional name: N-(2-acetamidophenyl)acetamide
• Synonyms: N1-[2-(acetylamino)phenyl]acetamide

Database IDs

• CAS Number: 2050-85-3
• MDL Number: MFCD00092752
• PubChem SID: 162074155
• PubChem CID: 74911

CALCULATED PROPERTIES

• Acid pKa: 12.772903
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.44866654
• LogD (pH = 7.4): 0.4486648
• Log P: 0.44866654
• Molar Refractivity: 55.784 cm^3
• Polarizability: 20.09673 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true