2-chloro-N-[2-(2,3-dichlorophenyl)ethyl]acetamide

• ChemBase ID: 260693
• Molecular Formular: C10H10Cl3NO
• Molecular Mass: 266.5515
• Monoisotopic Mass: 264.98279699
• SMILES: c1(c(Cl)cccc1CCNC(=O)CCl)Cl
• Canonical SMILES: ClCC(=O)NCCc1cccc(c1Cl)Cl
• InChI: InChI=1S/C10H10Cl3NO/c11-6-9(15)14-5-4-7-2-1-3-8(12)10(7)13/h1-3H,4-6H2,(H,14,15)
• InChIKey: KXZSDDDWTOHUAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(2,3-dichlorophenyl)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[2-(2,3-dichlorophenyl)ethyl]acetamide
• Synonyms: 2-chloro-N-[2-(2,3-dichlorophenyl)ethyl]acetamide

Database IDs

• MDL Number: MFCD17167098
• PubChem SID: 164316603
• PubChem CID: 50988910

CALCULATED PROPERTIES

• Acid pKa: 11.502501
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9519548
• LogD (pH = 7.4): 2.9519248
• Log P: 2.9519553
• Molar Refractivity: 63.093 cm^3
• Polarizability: 24.592978 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.938

Product Information

• Purity: 95%