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

• ChemBase ID: 311765
• Molecular Formular: C17H18BrNO2
• Molecular Mass: 348.23432
• Monoisotopic Mass: 347.05209082
• SMILES: N(C(=O)COc1ccc(cc1)C(C)C)c1c(Br)cccc1
• Canonical SMILES: O=C(Nc1ccccc1Br)COc1ccc(cc1)C(C)C
• InChI: InChI=1S/C17H18BrNO2/c1-12(2)13-7-9-14(10-8-13)21-11-17(20)19-16-6-4-3-5-15(16)18/h3-10,12H,11H2,1-2H3,(H,19,20)
• InChIKey: CRZVJPJGYARLPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 431995-26-5
• MDL Number: MFCD03143314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.7416215
• LogD (pH = 7.4): 4.7416096
• Log P: 4.7416215
• Molar Refractivity: 88.6967 cm^3
• Polarizability: 33.642834 Å^3
• Polar Surface Area: 38.33 Å^2