2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide

• ChemBase ID: 234525
• Molecular Formular: C10H11Cl2NO
• Molecular Mass: 232.10644
• Monoisotopic Mass: 231.02176934
• SMILES: c1(c(cc(cc1C)C)Cl)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1c(C)cc(cc1Cl)C
• InChI: InChI=1S/C10H11Cl2NO/c1-6-3-7(2)10(8(12)4-6)13-9(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
• InChIKey: HGGIYEFFQDKDMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
• Synonyms: 2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide

Database IDs

• MDL Number: MFCD02965527
• PubChem SID: 164290435
• PubChem CID: 2110931

CALCULATED PROPERTIES

• Acid pKa: 12.471449
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3791873
• LogD (pH = 7.4): 3.379184
• Log P: 3.3791873
• Molar Refractivity: 60.5614 cm^3
• Polarizability: 22.484201 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.243

Product Information

• Purity: 95%