2-chloro-N-[4-(propan-2-yloxy)phenyl]acetamide

• ChemBase ID: 311818
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: C(=O)(Nc1ccc(OC(C)C)cc1)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C11H14ClNO2/c1-8(2)15-10-5-3-9(4-6-10)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)
• InChIKey: HVOJEGURDPDERX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(propan-2-yloxy)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-(4-isopropoxyphenyl)acetamide
• Synonyms: 2-chloro-N-(4-isopropoxyphenyl)acetamide

Database IDs

• CAS Number: 100129-54-2
• MDL Number: MFCD02959561

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3640118
• LogD (pH = 7.4): 2.3640115
• Log P: 2.3640118
• Molar Refractivity: 61.3048 cm^3
• Polarizability: 23.247452 Å^3
• Polar Surface Area: 38.33 Å^2