5-chloro-2-(2-chloro-N-methylacetamido)-N-cyclohexylbenzamide

• ChemBase ID: 81423
• Molecular Formular: C16H20Cl2N2O2
• Molecular Mass: 343.2482
• Monoisotopic Mass: 342.09018325
• SMILES: N(c1ccc(cc1C(=O)NC1CCCCC1)Cl)(C(=O)CCl)C
• Canonical SMILES: ClCC(=O)N(c1ccc(cc1C(=O)NC1CCCCC1)Cl)C
• InChI: InChI=1S/C16H20Cl2N2O2/c1-20(15(21)10-17)14-8-7-11(18)9-13(14)16(22)19-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,19,22)
• InChIKey: HSOCXWMYLVGDGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(2-chloro-N-methylacetamido)-N-cyclohexylbenzamide
• IUPAC Traditional name: 5-chloro-2-(2-chloro-N-methylacetamido)-N-cyclohexylbenzamide
• Synonyms: N1-cyclohexyl-5-chloro-2-[(2-chloroacetyl)(methyl)amino]benzamide

Database IDs

• MDL Number: MFCD00278184
• PubChem SID: 162068542
• PubChem CID: 2777310

CALCULATED PROPERTIES

• Acid pKa: 14.10225
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0899968
• LogD (pH = 7.4): 3.0899975
• Log P: 3.0899975
• Molar Refractivity: 88.5842 cm^3
• Polarizability: 33.95369 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true