3-fluoro-N-(4-iodo-2-methylphenyl)benzamide

• ChemBase ID: 311070
• Molecular Formular: C14H11FINO
• Molecular Mass: 355.1461132
• Monoisotopic Mass: 354.9869402
• SMILES: C(=O)(Nc1c(cc(cc1)I)C)c1cc(F)ccc1
• Canonical SMILES: Ic1ccc(c(c1)C)NC(=O)c1cccc(c1)F
• InChI: InChI=1S/C14H11FINO/c1-9-7-12(16)5-6-13(9)17-14(18)10-3-2-4-11(15)8-10/h2-8H,1H3,(H,17,18)
• InChIKey: XVBGNVVKCZERCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
• IUPAC Traditional name: 3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
• Synonyms: 3-fluoro-N-(4-iodo-2-methylphenyl)benzamide

Database IDs

• CAS Number: 314022-37-2
• MDL Number: MFCD00783364

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.6501985
• LogD (pH = 7.4): 4.6501975
• Log P: 4.6501985
• Molar Refractivity: 80.2116 cm^3
• Polarizability: 29.518618 Å^3
• Polar Surface Area: 29.1 Å^2