N-(3-acetylphenyl)benzamide

• ChemBase ID: 27480
• Molecular Formular: C15H13NO2
• Molecular Mass: 239.26922
• Monoisotopic Mass: 239.09462866
• SMILES: C(=O)(Nc1cc(C(=O)C)ccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)Nc1cccc(c1)C(=O)C
• InChI: InChI=1S/C15H13NO2/c1-11(17)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h2-10H,1H3,(H,16,18)
• InChIKey: WLMCJZXPENYTMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetylphenyl)benzamide
• IUPAC Traditional name: N-(3-acetylphenyl)benzamide
• Synonyms: N-(3-Acetylphenyl)benzamide

Database IDs

• MDL Number: MFCD00516837
• PubChem SID: 160990787
• PubChem CID: 730417

CALCULATED PROPERTIES

• Acid pKa: 10.9572735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6227767
• LogD (pH = 7.4): 2.6226637
• Log P: 2.6227782
• Molar Refractivity: 71.9943 cm^3
• Polarizability: 26.671394 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false