N-(2-bromo-4-methylphenyl)-3,5-dimethoxybenzamide

• ChemBase ID: 311319
• Molecular Formular: C16H16BrNO3
• Molecular Mass: 350.20714
• Monoisotopic Mass: 349.03135538
• SMILES: C(=O)(Nc1c(cc(cc1)C)Br)c1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1Br)C
• InChI: InChI=1S/C16H16BrNO3/c1-10-4-5-15(14(17)6-10)18-16(19)11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H,18,19)
• InChIKey: MSUGQWNGTZYIRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-bromo-4-methylphenyl)-3,5-dimethoxybenzamide
• IUPAC Traditional name: N-(2-bromo-4-methylphenyl)-3,5-dimethoxybenzamide
• Synonyms: N-(2-bromo-4-methylphenyl)-3,5-dimethoxybenzamide

Database IDs

• CAS Number: 352688-91-6
• MDL Number: MFCD01357428

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.031962
• LogD (pH = 7.4): 4.0319586
• Log P: 4.031962
• Molar Refractivity: 87.1819 cm^3
• Polarizability: 32.515182 Å^3
• Polar Surface Area: 47.56 Å^2