N-(2-acetylphenyl)formamide

• ChemBase ID: 84575
• Molecular Formular: C9H9NO2
• Molecular Mass: 163.17326
• Monoisotopic Mass: 163.06332853
• SMILES: O=C(c1ccccc1NC=O)C
• Canonical SMILES: O=CNc1ccccc1C(=O)C
• InChI: InChI=1S/C9H9NO2/c1-7(12)8-4-2-3-5-9(8)10-6-11/h2-6H,1H3,(H,10,11)
• InChIKey: WAEJUYSDAMMJMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-acetylphenyl)formamide
• IUPAC Traditional name: N-(2-acetylphenyl)formamide
• Synonyms: N-(2-Acetylphenyl)formamide

Database IDs

• MDL Number: MFCD02090023
• PubChem SID: 162071691
• PubChem CID: 99684

CALCULATED PROPERTIES

• Acid pKa: 13.584881
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.369905
• LogD (pH = 7.4): 1.3699048
• Log P: 1.369905
• Molar Refractivity: 46.8333 cm^3
• Polarizability: 17.105366 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true