N-(2-bromo-4-methylphenyl)-2-ethoxybenzamide

• ChemBase ID: 311073
• Molecular Formular: C16H16BrNO2
• Molecular Mass: 334.20774
• Monoisotopic Mass: 333.03644076
• SMILES: C(=O)(c1c(OCC)cccc1)Nc1c(cc(cc1)C)Br
• Canonical SMILES: CCOc1ccccc1C(=O)Nc1ccc(cc1Br)C
• InChI: InChI=1S/C16H16BrNO2/c1-3-20-15-7-5-4-6-12(15)16(19)18-14-9-8-11(2)10-13(14)17/h4-10H,3H2,1-2H3,(H,18,19)
• InChIKey: UZNNDYBIRFNAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-bromo-4-methylphenyl)-2-ethoxybenzamide
• IUPAC Traditional name: N-(2-bromo-4-methylphenyl)-2-ethoxybenzamide
• Synonyms: N-(2-bromo-4-methylphenyl)-2-ethoxybenzamide

Database IDs

• CAS Number: 314022-94-1
• MDL Number: MFCD01033967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.546441
• LogD (pH = 7.4): 4.5464396
• Log P: 4.5464416
• Molar Refractivity: 85.4673 cm^3
• Polarizability: 31.792465 Å^3
• Polar Surface Area: 38.33 Å^2