N-(3-bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamide

• ChemBase ID: 311886
• Molecular Formular: C16H15BrClNO2
• Molecular Mass: 368.6528
• Monoisotopic Mass: 366.99746841
• SMILES: c1(cc(NC(=O)COc2ccc(cc2)CC)ccc1Cl)Br
• Canonical SMILES: CCc1ccc(cc1)OCC(=O)Nc1ccc(c(c1)Br)Cl
• InChI: InChI=1S/C16H15BrClNO2/c1-2-11-3-6-13(7-4-11)21-10-16(20)19-12-5-8-15(18)14(17)9-12/h3-9H,2,10H2,1H3,(H,19,20)
• InChIKey: NNFFSCHJSNMZKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamide
• IUPAC Traditional name: N-(3-bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamide
• Synonyms: N-(3-bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamide

Database IDs

• CAS Number: 527746-29-8
• MDL Number: MFCD03554579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.058647
• LogD (pH = 7.4): 5.058644
• Log P: 5.058647
• Molar Refractivity: 88.9529 cm^3
• Polarizability: 33.75636 Å^3
• Polar Surface Area: 38.33 Å^2