N-(4-acetylphenyl)-2-(4-chlorophenoxy)acetamide

• ChemBase ID: 27541
• Molecular Formular: C16H14ClNO3
• Molecular Mass: 303.74026
• Monoisotopic Mass: 303.06622099
• SMILES: C(=O)(Nc1ccc(C(=O)C)cc1)COc1ccc(Cl)cc1
• Canonical SMILES: O=C(Nc1ccc(cc1)C(=O)C)COc1ccc(cc1)Cl
• InChI: InChI=1S/C16H14ClNO3/c1-11(19)12-2-6-14(7-3-12)18-16(20)10-21-15-8-4-13(17)5-9-15/h2-9H,10H2,1H3,(H,18,20)
• InChIKey: BHNODSWBAPOYPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)-2-(4-chlorophenoxy)acetamide
• IUPAC Traditional name: N-(4-acetylphenyl)-2-(4-chlorophenoxy)acetamide
• Synonyms: N-(4-Acetylphenyl)-2-(4-chlorophenoxy)acetamide

Database IDs

• MDL Number: MFCD00745303
• PubChem SID: 160990848
• PubChem CID: 723677

CALCULATED PROPERTIES

• Acid pKa: 12.348239
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8895519
• LogD (pH = 7.4): 2.889547
• Log P: 2.8895519
• Molar Refractivity: 82.0907 cm^3
• Polarizability: 31.085726 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false