N-(2-bromo-4-methylphenyl)-3-methoxybenzamide

• ChemBase ID: 310968
• Molecular Formular: C15H14BrNO2
• Molecular Mass: 320.18116
• Monoisotopic Mass: 319.02079069
• SMILES: C(=O)(Nc1c(cc(cc1)C)Br)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(=O)Nc1ccc(cc1Br)C
• InChI: InChI=1S/C15H14BrNO2/c1-10-6-7-14(13(16)8-10)17-15(18)11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,17,18)
• InChIKey: QVKOJORDYWUIIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-bromo-4-methylphenyl)-3-methoxybenzamide
• IUPAC Traditional name: N-(2-bromo-4-methylphenyl)-3-methoxybenzamide
• Synonyms: N-(2-bromo-4-methylphenyl)-3-methoxybenzamide

Database IDs

• CAS Number: 353782-91-9
• MDL Number: MFCD00981203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1896334
• LogD (pH = 7.4): 4.1896324
• Log P: 4.1896334
• Molar Refractivity: 80.7187 cm^3
• Polarizability: 29.962976 Å^3
• Polar Surface Area: 38.33 Å^2