3-bromo-4-methoxy-N-methylbenzamide

• ChemBase ID: 307810
• Molecular Formular: C9H10BrNO2
• Molecular Mass: 244.0852
• Monoisotopic Mass: 242.98949057
• SMILES: C(=O)(c1cc(c(cc1)OC)Br)NC
• Canonical SMILES: CNC(=O)c1ccc(c(c1)Br)OC
• InChI: InChI=1S/C9H10BrNO2/c1-11-9(12)6-3-4-8(13-2)7(10)5-6/h3-5H,1-2H3,(H,11,12)
• InChIKey: JBCQEPXWGQKBBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-methoxy-N-methylbenzamide
• IUPAC Traditional name: 3-bromo-4-methoxy-N-methylbenzamide
• Synonyms: 3-bromo-4-methoxy-N-methylbenzamide

Database IDs

• CAS Number: 337536-21-7
• MDL Number: MFCD06800273

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6586432
• LogD (pH = 7.4): 1.6586435
• Log P: 1.6586435
• Molar Refractivity: 54.1191 cm^3
• Polarizability: 20.420555 Å^3
• Polar Surface Area: 38.33 Å^2