N-(2-oxo-2-phenylethyl)formamide

• ChemBase ID: 291235
• Molecular Formular: C9H9NO2
• Molecular Mass: 163.17326
• Monoisotopic Mass: 163.06332853
• SMILES: O=CNCC(=O)c1ccccc1
• Canonical SMILES: O=CNCC(=O)c1ccccc1
• InChI: InChI=1S/C9H9NO2/c11-7-10-6-9(12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11)
• InChIKey: FQDKEOJQWVXKSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-2-phenylethyl)formamide
• IUPAC Traditional name: N-(2-oxo-2-phenylethyl)formamide
• Synonyms: N-(2-Oxo-2-phenylethyl)formamide

Database IDs

• CAS Number: 73286-37-0
• MDL Number: MFCD21121748
• PubChem SID: 180676766
• PubChem CID: 12610929

CALCULATED PROPERTIES

• Acid pKa: 13.628749
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.37691134
• LogD (pH = 7.4): 0.37691116
• Log P: 0.3769114
• Molar Refractivity: 44.7738 cm^3
• Polarizability: 17.11567 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%