2-chloro-N-[2-(2,4-dichlorophenoxy)phenyl]acetamide

• ChemBase ID: 78904
• Molecular Formular: C14H10Cl3NO2
• Molecular Mass: 330.5937
• Monoisotopic Mass: 328.97771161
• SMILES: O(c1ccc(cc1Cl)Cl)c1ccccc1NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccccc1Oc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C14H10Cl3NO2/c15-8-14(19)18-11-3-1-2-4-13(11)20-12-6-5-9(16)7-10(12)17/h1-7H,8H2,(H,18,19)
• InChIKey: KWZVXDMJPLZPKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(2,4-dichlorophenoxy)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[2-(2,4-dichlorophenoxy)phenyl]acetamide
• Synonyms: N1-[2-(2,4-dichlorophenoxy)phenyl]-2-chloroacetamide

Database IDs

• MDL Number: MFCD00116779
• PubChem SID: 162043667
• PubChem CID: 2774418

CALCULATED PROPERTIES

• Acid pKa: 11.883101
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.4566765
• LogD (pH = 7.4): 4.456663
• Log P: 4.4566765
• Molar Refractivity: 81.5246 cm^3
• Polarizability: 31.192043 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true