2-chloro-N-(2-chloro-4-acetamidophenyl)acetamide

• ChemBase ID: 30258
• Molecular Formular: C10H10Cl2N2O2
• Molecular Mass: 261.1046
• Monoisotopic Mass: 260.01193293
• SMILES: N(c1c(cc(NC(=O)C)cc1)Cl)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1Cl)NC(=O)C
• InChI: InChI=1S/C10H10Cl2N2O2/c1-6(15)13-7-2-3-9(8(12)4-7)14-10(16)5-11/h2-4H,5H2,1H3,(H,13,15)(H,14,16)
• InChIKey: NEHMOTXSDZZBSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-chloro-4-acetamidophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-chloro-4-acetamidophenyl)acetamide
• Synonyms: N-(4-Acetylamino-2-chloro-phenyl)-2-chloroacetamide

Database IDs

• MDL Number: MFCD07391227
• PubChem SID: 160993565
• PubChem CID: 6486741

CALCULATED PROPERTIES

• Acid pKa: 12.274583
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.590055
• LogD (pH = 7.4): 1.5900495
• Log P: 1.590055
• Molar Refractivity: 65.342 cm^3
• Polarizability: 23.917967 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false