4-amino-3,5-dibromobenzamide

• ChemBase ID: 284872
• Molecular Formular: C7H6Br2N2O
• Molecular Mass: 293.94334
• Monoisotopic Mass: 291.88468682
• SMILES: c1(c(cc(C(=O)N)cc1Br)Br)N
• Canonical SMILES: NC(=O)c1cc(Br)c(c(c1)Br)N
• InChI: InChI=1S/C7H6Br2N2O/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H2,11,12)
• InChIKey: BLOWNZBZNOMDFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-3,5-dibromobenzamide
• IUPAC Traditional name: 4-amino-3,5-dibromobenzamide
• Synonyms: 4-amino-3,5-dibromobenzamide

Database IDs

• MDL Number: MFCD03407462
• PubChem SID: 180670403
• PubChem CID: 18526360

CALCULATED PROPERTIES

• Acid pKa: 14.663711
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5324392
• LogD (pH = 7.4): 1.5324651
• Log P: 1.5324655
• Molar Refractivity: 55.0824 cm^3
• Polarizability: 20.350721 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 1.724

Product Information

• Purity: 95%