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

• ChemBase ID: 310702
• Molecular Formular: C13H9FINO
• Molecular Mass: 341.1195332
• Monoisotopic Mass: 340.97129013
• SMILES: C(=O)(Nc1ccc(I)cc1)c1cc(F)ccc1
• Canonical SMILES: Ic1ccc(cc1)NC(=O)c1cccc(c1)F
• InChI: InChI=1S/C13H9FINO/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12/h1-8H,(H,16,17)
• InChIKey: UGKBLMYEBVEDQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-(4-iodophenyl)benzamide
• IUPAC Traditional name: 3-fluoro-N-(4-iodophenyl)benzamide
• Synonyms: 3-fluoro-N-(4-iodophenyl)benzamide

Database IDs

• CAS Number: 304882-37-9
• MDL Number: MFCD00439094

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.136777
• LogD (pH = 7.4): 4.136776
• Log P: 4.136777
• Molar Refractivity: 75.1704 cm^3
• Polarizability: 27.777649 Å^3
• Polar Surface Area: 29.1 Å^2