N-(2-bromophenyl)-5-chloro-2-methoxybenzamide

• ChemBase ID: 311452
• Molecular Formular: C14H11BrClNO2
• Molecular Mass: 340.59964
• Monoisotopic Mass: 338.96616828
• SMILES: c1(C(=O)Nc2c(Br)cccc2)c(ccc(c1)Cl)OC
• Canonical SMILES: COc1ccc(cc1C(=O)Nc1ccccc1Br)Cl
• InChI: InChI=1S/C14H11BrClNO2/c1-19-13-7-6-9(16)8-10(13)14(18)17-12-5-3-2-4-11(12)15/h2-8H,1H3,(H,17,18)
• InChIKey: OOPPIYWBHOTCGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-bromophenyl)-5-chloro-2-methoxybenzamide
• IUPAC Traditional name: N-(2-bromophenyl)-5-chloro-2-methoxybenzamide
• Synonyms: N-(2-bromophenyl)-5-chloro-2-methoxybenzamide

Database IDs

• CAS Number: 349538-99-4
• MDL Number: MFCD01356367

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2802567
• LogD (pH = 7.4): 4.2802463
• Log P: 4.2802567
• Molar Refractivity: 80.4823 cm^3
• Polarizability: 30.152311 Å^3
• Polar Surface Area: 38.33 Å^2