2-chloro-N-[4-(3-chlorophenoxy)phenyl]acetamide

• ChemBase ID: 266048
• Molecular Formular: C14H11Cl2NO2
• Molecular Mass: 296.14864
• Monoisotopic Mass: 295.01668396
• SMILES: C(=O)(Nc1ccc(Oc2cc(Cl)ccc2)cc1)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)Oc1cccc(c1)Cl
• InChI: InChI=1S/C14H11Cl2NO2/c15-9-14(18)17-11-4-6-12(7-5-11)19-13-3-1-2-10(16)8-13/h1-8H,9H2,(H,17,18)
• InChIKey: BPROOLMEEMVDHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(3-chlorophenoxy)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-(3-chlorophenoxy)phenyl]acetamide
• Synonyms: 2-chloro-N-[4-(3-chlorophenoxy)phenyl]acetamide

Database IDs

• MDL Number: MFCD11961068
• PubChem SID: 164321958
• PubChem CID: 12604385

CALCULATED PROPERTIES

• Acid pKa: 13.833008
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8526318
• LogD (pH = 7.4): 3.8526318
• Log P: 3.8526318
• Molar Refractivity: 76.7198 cm^3
• Polarizability: 29.252531 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 4.585

Product Information

• Purity: 95%