N-(2,5-dibromophenyl)benzamide

• ChemBase ID: 294592
• Molecular Formular: C13H9Br2NO
• Molecular Mass: 355.02466
• Monoisotopic Mass: 352.90508791
• SMILES: O=C(Nc1cc(Br)ccc1Br)c1ccccc1
• Canonical SMILES: Brc1ccc(c(c1)NC(=O)c1ccccc1)Br
• InChI: InChI=1S/C13H9Br2NO/c14-10-6-7-11(15)12(8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
• InChIKey: FUQSHTAGAXBJSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dibromophenyl)benzamide
• IUPAC Traditional name: N-(2,5-dibromophenyl)benzamide
• Synonyms: N-(2,5-Dibromophenyl)benzamide

Database IDs

• CAS Number: 860555-85-7
• PubChem SID: 180680123
• PubChem CID: 39166865

CALCULATED PROPERTIES

• Acid pKa: 10.500473
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.6026316
• LogD (pH = 7.4): 4.6023088
• Log P: 4.602636
• Molar Refractivity: 76.8371 cm^3
• Polarizability: 28.605589 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%