2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

• ChemBase ID: 229413
• Molecular Formular: C10H10Cl3NO
• Molecular Mass: 266.5515
• Monoisotopic Mass: 264.98279699
• SMILES: c1(cc(ccc1CCNC(=O)CCl)Cl)Cl
• Canonical SMILES: ClCC(=O)NCCc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C10H10Cl3NO/c11-6-10(15)14-4-3-7-1-2-8(12)5-9(7)13/h1-2,5H,3-4,6H2,(H,14,15)
• InChIKey: NZTSGBWDNNYGNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
• Synonyms: 2-Chloro-N-[2-(2,4-dichloro-phenyl)-ethyl]-acetamide

Database IDs

• CAS Number: 34162-22-6
• MDL Number: MFCD03966897
• PubChem SID: 164285323
• PubChem CID: 2392342

CALCULATED PROPERTIES

• Acid pKa: 11.506008
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9519548
• LogD (pH = 7.4): 2.951925
• Log P: 2.9519553
• Molar Refractivity: 63.093 cm^3
• Polarizability: 24.565876 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.058

Product Information

• Purity: 95%