2-fluoro-N-phenylbenzamide

• ChemBase ID: 300373
• Molecular Formular: C13H10FNO
• Molecular Mass: 215.2230032
• Monoisotopic Mass: 215.07464217
• SMILES: c1ccc(cc1)NC(=O)c1ccccc1F
• Canonical SMILES: O=C(c1ccccc1F)Nc1ccccc1
• InChI: InChI=1S/C13H10FNO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
• InChIKey: LFYRRNCQLJGEGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-phenylbenzamide
• IUPAC Traditional name: 2-fluoro-N-phenylbenzamide
• Synonyms: 2-Fluoro-N-phenylbenzamide

Database IDs

• CAS Number: 1747-80-4
• MDL Number: MFCD00454563

CALCULATED PROPERTIES

• Acid pKa: 12.819977
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2078326
• LogD (pH = 7.4): 3.207831
• Log P: 3.2078326
• Molar Refractivity: 61.8079 cm^3
• Polarizability: 22.587727 Å^3
• Polar Surface Area: 29.1 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
• TSCA Listed: 否
• 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%