N-(2-benzoylphenyl)-2-bromoacetamide

• ChemBase ID: 81958
• Molecular Formular: C15H12BrNO2
• Molecular Mass: 318.16528
• Monoisotopic Mass: 317.00514063
• SMILES: N(c1c(cccc1)C(=O)c1ccccc1)C(=O)CBr
• Canonical SMILES: BrCC(=O)Nc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C15H12BrNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
• InChIKey: HZQDHBGMMKYQDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-benzoylphenyl)-2-bromoacetamide
• IUPAC Traditional name: N-(2-benzoylphenyl)-2-bromoacetamide
• Synonyms: N-(2-Benzoylphenyl)-2-bromoacetamide; 2-Bromo-N-[2-(phenylcarbonyl)phenyl]acetamide; 2-[(Bromoacetyl)amino]benzophenone; N-(2-Benzoylphenyl)-2-broMoacetaMide

Database IDs

• CAS Number: 14439-71-5
• MDL Number: MFCD00277799
• PubChem SID: 162069077
• PubChem CID: 84439

CALCULATED PROPERTIES

• Acid pKa: 12.3706255
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.043148
• LogD (pH = 7.4): 4.0431437
• Log P: 4.0431485
• Molar Refractivity: 79.2332 cm^3
• Polarizability: 29.50594 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%