2-bromo-N-(4-bromophenyl)acetamide

• ChemBase ID: 32227
• Molecular Formular: C8H7Br2NO
• Molecular Mass: 292.95528
• Monoisotopic Mass: 290.88943785
• SMILES: C(=O)(Nc1ccc(Br)cc1)CBr
• Canonical SMILES: BrCC(=O)Nc1ccc(cc1)Br
• InChI: InChI=1S/C8H7Br2NO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
• InChIKey: FDPCSKPUJUALLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(4-bromophenyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(4-bromophenyl)acetamide
• Synonyms: 2-Bromo-N-(4-bromophenyl)acetamide

Database IDs

• MDL Number: MFCD00124401
• PubChem SID: 160995534
• PubChem CID: 225526

CALCULATED PROPERTIES

• Acid pKa: 13.62111
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7025478
• LogD (pH = 7.4): 2.7025476
• Log P: 2.7025478
• Molar Refractivity: 56.2805 cm^3
• Polarizability: 21.02956 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false