4-fluoro-N-methyl-N-phenylbenzamide

• ChemBase ID: 299529
• Molecular Formular: C14H12FNO
• Molecular Mass: 229.2495832
• Monoisotopic Mass: 229.09029223
• SMILES: Fc1ccc(C(=O)N(c2ccccc2)C)cc1
• Canonical SMILES: Fc1ccc(cc1)C(=O)N(c1ccccc1)C
• InChI: InChI=1S/C14H12FNO/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(15)10-8-11/h2-10H,1H3
• InChIKey: GHQGUBZUUFNBBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-methyl-N-phenylbenzamide
• IUPAC Traditional name: 4-fluoro-N-methyl-N-phenylbenzamide
• Synonyms: 4-Fluoro-N-methyl-N-phenylbenzamide

Database IDs

• CAS Number: 37950-87-1
• PubChem SID: 180685060
• PubChem CID: 669210

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0718987
• LogD (pH = 7.4): 3.0718987
• Log P: 3.0718987
• Molar Refractivity: 64.9238 cm^3
• Polarizability: 24.424309 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%