N-(4-bromo-2-fluorophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide

• ChemBase ID: 311781
• Molecular Formular: C17H17BrFNO2
• Molecular Mass: 366.2247832
• Monoisotopic Mass: 365.04266901
• SMILES: N(c1c(cc(cc1)Br)F)C(=O)COc1ccc(cc1)C(C)C
• Canonical SMILES: O=C(Nc1ccc(cc1F)Br)COc1ccc(cc1)C(C)C
• InChI: InChI=1S/C17H17BrFNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
• InChIKey: SZRSJKXICOEKPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 432526-49-3
• MDL Number: MFCD03144277

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.8843226
• LogD (pH = 7.4): 4.884257
• Log P: 4.8843236
• Molar Refractivity: 88.9131 cm^3
• Polarizability: 33.394985 Å^3
• Polar Surface Area: 38.33 Å^2