N-tert-butyl-N'-[4-chloro(2H4)benzoyl]benzohydrazide

• ChemBase ID: 169829
• Molecular Formular: C18H19ClN2O2
• Molecular Mass: 330.80866
• Monoisotopic Mass: 330.11350554
• SMILES: c1c(ccc(c1)C(=O)NN(C(C)(C)C)C(=O)c1ccccc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1ccccc1
• InChI: InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)
• InChIKey: CNKHSLKYRMDDNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-N'-[4-chloro(^2H₄)benzoyl]benzohydrazide
• IUPAC Traditional name: N-tert-butyl-N'-[4-chloro(^2H₄)benzoyl]benzohydrazide
• Synonyms: 4-Chlorobenzoic Acid-d4 2-Benzoyl-2-(1,1-dimethylethyl)hydrazide; Benzoic Acid N-tert-butyl-N-(4-chlorobenzoyl-d4)Hydrazide; Mach 2-d4; RG 100864-d4; RH 0345-d4; Spectracide Grub Stop Once & Done-d4; Halofenozide-d4

Database IDs

• PubChem SID: 162263961
• PubChem CID: 71317186

CALCULATED PROPERTIES

• Acid pKa: 13.666444
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9702916
• LogD (pH = 7.4): 3.9702914
• Log P: 3.9702916
• Molar Refractivity: 92.1799 cm^3
• Polarizability: 34.833607 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - H102452

Labelled Halofenozide, a dibenzoylhydrazine based pesticide. Halofenozide is an ecdysteroid agonist used as white grub control. Halofenozide functions by interfering with the normal growth and development in insects.

REFERENCES

• Cowles, R.S. et al.: J. Econ. Entomol., 92, 427 (1999)
• Sundaram, M. et al.: Pest. Biochem. Physiol., 62, 201 (1999)
• Soltani, N. et al.: Pest. Biochem. Physiol., 72, 83 (1999)