2-(3,4-dichlorophenyl)acetamide

• ChemBase ID: 260765
• Molecular Formular: C8H7Cl2NO
• Molecular Mass: 204.05328
• Monoisotopic Mass: 202.99046921
• SMILES: c1(c(ccc(c1)CC(=O)N)Cl)Cl
• Canonical SMILES: NC(=O)Cc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C8H7Cl2NO/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H2,11,12)
• InChIKey: ZZEVQJYIDJSWPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)acetamide
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)acetamide
• Synonyms: 2-(3,4-dichlorophenyl)acetamide

Database IDs

• MDL Number: MFCD11043647
• PubChem SID: 164316675
• PubChem CID: 228607

CALCULATED PROPERTIES

• Acid pKa: 14.01803
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0121408
• LogD (pH = 7.4): 2.012141
• Log P: 2.0121408
• Molar Refractivity: 48.7974 cm^3
• Polarizability: 19.044817 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.76

Product Information

• Purity: 95%