N-(3,5-dibromophenyl)acetamide

• ChemBase ID: 90122
• Molecular Formular: C8H7Br2NO
• Molecular Mass: 292.95528
• Monoisotopic Mass: 290.88943785
• SMILES: N(c1cc(cc(c1)Br)Br)C(=O)C
• Canonical SMILES: CC(=O)Nc1cc(Br)cc(c1)Br
• InChI: InChI=1S/C8H7Br2NO/c1-5(12)11-8-3-6(9)2-7(10)4-8/h2-4H,1H3,(H,11,12)
• InChIKey: NHDWYJQAQKUDHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dibromophenyl)acetamide
• IUPAC Traditional name: N-(3,5-dibromophenyl)acetamide
• Synonyms: N-Acetyl 3,5-dibromoaniline; 1-Acetamido-3,5-dibromobenzene,N-(3,5-Dibromophenyl)acetamide; 3',5'-Dibromoacetanilide

Database IDs

• CAS Number: 119430-40-9
• PubChem SID: 162076977
• PubChem CID: 14452549

CALCULATED PROPERTIES

• Acid pKa: 13.853052
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7484615
• LogD (pH = 7.4): 2.7484612
• Log P: 2.7484615
• Molar Refractivity: 56.1666 cm^3
• Polarizability: 21.110865 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant