2-chloro-N-(2,3,4,5-tetrachlorophenyl)acetamide

• ChemBase ID: 81129
• Molecular Formular: C8H4Cl5NO
• Molecular Mass: 307.38846
• Monoisotopic Mass: 304.87355215
• SMILES: N(c1c(c(c(c(c1)Cl)Cl)Cl)Cl)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1cc(Cl)c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C8H4Cl5NO/c9-2-5(15)14-4-1-3(10)6(11)8(13)7(4)12/h1H,2H2,(H,14,15)
• InChIKey: YDMQPNUKFMSRAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,3,4,5-tetrachlorophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,3,4,5-tetrachlorophenyl)acetamide
• Synonyms: N1-(2,3,4,5-tetrachlorophenyl)-2-chloroacetamide

Database IDs

• MDL Number: MFCD00120486
• PubChem SID: 162068248
• PubChem CID: 2776962

CALCULATED PROPERTIES

• Acid pKa: 11.965854
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.164479
• LogD (pH = 7.4): 4.1644673
• Log P: 4.164479
• Molar Refractivity: 64.8934 cm^3
• Polarizability: 24.96148 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true