2,6-dichloro-N-(2,3,5,6-tetrachlorophenyl)benzamide

• ChemBase ID: 78750
• Molecular Formular: C13H5Cl6NO
• Molecular Mass: 403.9029
• Monoisotopic Mass: 400.85022987
• SMILES: N(c1c(c(cc(c1Cl)Cl)Cl)Cl)C(=O)c1c(cccc1Cl)Cl
• Canonical SMILES: Clc1c(Cl)cc(c(c1NC(=O)c1c(Cl)cccc1Cl)Cl)Cl
• InChI: InChI=1S/C13H5Cl6NO/c14-5-2-1-3-6(15)9(5)13(21)20-12-10(18)7(16)4-8(17)11(12)19/h1-4H,(H,20,21)
• InChIKey: CGNQFNDXWUISSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N-(2,3,5,6-tetrachlorophenyl)benzamide
• IUPAC Traditional name: 2,6-dichloro-N-(2,3,5,6-tetrachlorophenyl)benzamide
• Synonyms: N1-(2,3,5,6-tetrachlorophenyl)-2,6-dichlorobenzamide

Database IDs

• MDL Number: MFCD00218103
• PubChem SID: 162043513
• PubChem CID: 2774219

CALCULATED PROPERTIES

• Acid pKa: 7.3967123
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.684199
• LogD (pH = 7.4): 6.407995
• Log P: 6.689399
• Molar Refractivity: 90.4203 cm^3
• Polarizability: 34.555355 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false