N-(4-acetylphenyl)-2-fluorobenzamide

• ChemBase ID: 27503
• Molecular Formular: C15H12FNO2
• Molecular Mass: 257.2596832
• Monoisotopic Mass: 257.08520685
• SMILES: C(=O)(c1c(F)cccc1)Nc1ccc(C(=O)C)cc1
• Canonical SMILES: O=C(c1ccccc1F)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C15H12FNO2/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16/h2-9H,1H3,(H,17,19)
• InChIKey: FXNNSGIBOCQSHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)-2-fluorobenzamide
• IUPAC Traditional name: N-(4-acetylphenyl)-2-fluorobenzamide
• Synonyms: N-(4-Acetylphenyl)-2-fluorobenzamide

Database IDs

• MDL Number: MFCD00429853
• PubChem SID: 160990810
• PubChem CID: 761098

CALCULATED PROPERTIES

• Acid pKa: 10.694399
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7654774
• LogD (pH = 7.4): 2.7652707
• Log P: 2.76548
• Molar Refractivity: 72.2107 cm^3
• Polarizability: 26.33529 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