N-(3-acetylphenyl)-4-methoxybenzamide

• ChemBase ID: 27524
• Molecular Formular: C16H15NO3
• Molecular Mass: 269.2952
• Monoisotopic Mass: 269.10519335
• SMILES: C(=O)(Nc1cc(C(=O)C)ccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C
• InChI: InChI=1S/C16H15NO3/c1-11(18)13-4-3-5-14(10-13)17-16(19)12-6-8-15(20-2)9-7-12/h3-10H,1-2H3,(H,17,19)
• InChIKey: HEIPFULVZGXCFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetylphenyl)-4-methoxybenzamide
• IUPAC Traditional name: N-(3-acetylphenyl)-4-methoxybenzamide
• Synonyms: N-(3-Acetylphenyl)-4-methoxybenzamide

Database IDs

• MDL Number: MFCD00816425
• PubChem SID: 160990831
• PubChem CID: 773486

CALCULATED PROPERTIES

• Acid pKa: 11.135827
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.465106
• LogD (pH = 7.4): 2.4650311
• Log P: 2.465107
• Molar Refractivity: 78.4575 cm^3
• Polarizability: 29.184832 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false