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

• ChemBase ID: 311766
• Molecular Formular: C18H20BrNO2
• Molecular Mass: 362.2609
• Monoisotopic Mass: 361.06774089
• SMILES: N(c1c(cc(cc1)Br)C)C(=O)COc1ccc(cc1)C(C)C
• Canonical SMILES: O=C(Nc1ccc(cc1C)Br)COc1ccc(cc1)C(C)C
• InChI: InChI=1S/C18H20BrNO2/c1-12(2)14-4-7-16(8-5-14)22-11-18(21)20-17-9-6-15(19)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,20,21)
• InChIKey: PTQIAMFFOFCBQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 432496-28-1
• MDL Number: MFCD03143456

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.255043
• LogD (pH = 7.4): 5.25504
• Log P: 5.255043
• Molar Refractivity: 93.7379 cm^3
• Polarizability: 35.395405 Å^3
• Polar Surface Area: 38.33 Å^2