N-(3-iodophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide

• ChemBase ID: 311774
• Molecular Formular: C17H18INO2
• Molecular Mass: 395.23479
• Monoisotopic Mass: 395.03822682
• SMILES: C(=O)(Nc1cc(I)ccc1)COc1ccc(cc1)C(C)C
• Canonical SMILES: O=C(Nc1cccc(c1)I)COc1ccc(cc1)C(C)C
• InChI: InChI=1S/C17H18INO2/c1-12(2)13-6-8-16(9-7-13)21-11-17(20)19-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,19,20)
• InChIKey: IGPXZKGUXUJAEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-iodophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide
• IUPAC Traditional name: N-(3-iodophenyl)-2-(4-isopropylphenoxy)acetamide
• Synonyms: N-(3-iodophenyl)-2-(4-isopropylphenoxy)acetamide

Database IDs

• CAS Number: 432509-06-3
• MDL Number: MFCD03143793

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.9018135
• LogD (pH = 7.4): 4.90181
• Log P: 4.9018135
• Molar Refractivity: 94.4364 cm^3
• Polarizability: 35.949497 Å^3
• Polar Surface Area: 38.33 Å^2