N-(4,5-dichloro-2-acetamidophenyl)acetamide

• ChemBase ID: 87040
• Molecular Formular: C10H10Cl2N2O2
• Molecular Mass: 261.1046
• Monoisotopic Mass: 260.01193293
• SMILES: N(c1c(cc(c(c1)Cl)Cl)NC(=O)C)C(=O)C
• Canonical SMILES: CC(=O)Nc1cc(Cl)c(cc1NC(=O)C)Cl
• InChI: InChI=1S/C10H10Cl2N2O2/c1-5(15)13-9-3-7(11)8(12)4-10(9)14-6(2)16/h3-4H,1-2H3,(H,13,15)(H,14,16)
• InChIKey: WDJDIFOCXRYUEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,5-dichloro-2-acetamidophenyl)acetamide
• IUPAC Traditional name: N-(4,5-dichloro-2-acetamidophenyl)acetamide
• Synonyms: N1-[2-(acetylamino)-4,5-dichlorophenyl]acetamide

Database IDs

• CAS Number: 23562-52-9
• MDL Number: MFCD00276974
• PubChem SID: 162074156
• PubChem CID: 2747579

CALCULATED PROPERTIES

• Acid pKa: 12.586758
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6567559
• LogD (pH = 7.4): 1.6567532
• Log P: 1.6567559
• Molar Refractivity: 65.3936 cm^3
• Polarizability: 23.97654 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true