1-(4-bromophenyl)-2-[(4-chlorophenyl)amino]ethan-1-one

• ChemBase ID: 311285
• Molecular Formular: C14H11BrClNO
• Molecular Mass: 324.60024
• Monoisotopic Mass: 322.97125366
• SMILES: C(=O)(c1ccc(cc1)Br)CNc1ccc(Cl)cc1
• Canonical SMILES: Clc1ccc(cc1)NCC(=O)c1ccc(cc1)Br
• InChI: InChI=1S/C14H11BrClNO/c15-11-3-1-10(2-4-11)14(18)9-17-13-7-5-12(16)6-8-13/h1-8,17H,9H2
• InChIKey: OIRRSJPCKIXCNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)-2-[(4-chlorophenyl)amino]ethan-1-one
• IUPAC Traditional name: 1-(4-bromophenyl)-2-[(4-chlorophenyl)amino]ethanone
• Synonyms: 1-(4-bromophenyl)-2-[(4-chlorophenyl)amino]ethanone

Database IDs

• CAS Number: 28012-58-0
• MDL Number: MFCD01220318

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0507016
• LogD (pH = 7.4): 4.051039
• Log P: 4.0510435
• Molar Refractivity: 78.5811 cm^3
• Polarizability: 29.421137 Å^3
• Polar Surface Area: 29.1 Å^2