4-fluoro-N-(2-iodophenyl)benzamide

• ChemBase ID: 300157
• Molecular Formular: C13H9FINO
• Molecular Mass: 341.1195332
• Monoisotopic Mass: 340.97129013
• SMILES: c1ccc(c(c1)NC(=O)c1ccc(cc1)F)I
• Canonical SMILES: Fc1ccc(cc1)C(=O)Nc1ccccc1I
• InChI: InChI=1S/C13H9FINO/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,(H,16,17)
• InChIKey: GJUZVFZTXIPYDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-(2-iodophenyl)benzamide
• IUPAC Traditional name: 4-fluoro-N-(2-iodophenyl)benzamide
• Synonyms: 4-Fluoro-N-(2-iodophenyl)benzamide

Database IDs

• CAS Number: 136138-52-8
• MDL Number: MFCD00543211

CALCULATED PROPERTIES

• Acid pKa: 12.795937
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.136777
• LogD (pH = 7.4): 4.1367755
• Log P: 4.136777
• Molar Refractivity: 75.1704 cm^3
• Polarizability: 27.783892 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• 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%