4-bromo-N-methyl-N-phenylbenzamide

• ChemBase ID: 299510
• Molecular Formular: C14H12BrNO
• Molecular Mass: 290.15518
• Monoisotopic Mass: 289.01022601
• SMILES: Brc1ccc(C(=O)N(c2ccccc2)C)cc1
• Canonical SMILES: Brc1ccc(cc1)C(=O)N(c1ccccc1)C
• InChI: InChI=1S/C14H12BrNO/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(15)10-8-11/h2-10H,1H3
• InChIKey: XOSDDMWRQAMQII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-N-methyl-N-phenylbenzamide
• IUPAC Traditional name: 4-bromo-N-methyl-N-phenylbenzamide
• Synonyms: 4-Bromo-N-methyl-N-phenylbenzamide

Database IDs

• CAS Number: 346690-27-5
• PubChem SID: 180685041
• PubChem CID: 668808

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6979494
• LogD (pH = 7.4): 3.6979494
• Log P: 3.6979494
• Molar Refractivity: 72.3302 cm^3
• Polarizability: 27.482138 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%