3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-(2H3)methyl(2H2)benzamide

• ChemBase ID: 179683
• Molecular Formular: C14H16Cl3NO2
• Molecular Mass: 336.64134
• Monoisotopic Mass: 335.0246618
• SMILES: c1(c(c(cc(c1)C(=O)NC(C(=O)CCl)(CC)C)Cl)C)Cl
• Canonical SMILES: CCC(C(=O)CCl)(NC(=O)c1cc(Cl)c(c(c1)Cl)C)C
• InChI: InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)
• InChIKey: SOUGWDPPRBKJEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-(^2H₃)methyl(^2H₂)benzamide
• IUPAC Traditional name: 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-(^2H₃)methyl(^2H₂)benzamide
• Synonyms: 3,5-Dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)-4-methylbenzamide-d5; RH 7281-d5; Zoxium-d5; Zoxamide-d5

Database IDs

• PubChem SID: 164235593
• PubChem CID: 71753038

CALCULATED PROPERTIES

• Acid pKa: 14.608981
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.6380777
• LogD (pH = 7.4): 4.638078
• Log P: 4.638078
• Molar Refractivity: 82.804 cm^3
• Polarizability: 31.801456 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - Z700922

Labelled Zoxamide, a fungacide for control of mildew and late bight. Zoxamide was developped for foliar use on potatoes, vines, and vegetables. Zoxamide is able to specifically target Oomycete fungi; Zoxamide exhibits strong preventive activity combined w

REFERENCES

• Duriatti, A. et al.: Phytoma, 557, 52 (2003)
• Egan, A.R. et al.: Bright. Crop Protect. Conf. Pest. Dis., 2, 335 (2003)
• Miller, J.S. et al.: Am. J. Potato Res., 83, 269 (2003)