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2D Structure
Also known as: 64628-44-0, Trifluron, Triflumuron [iso], Sir 8514, 2-chloro-n-(((4-(trifluoromethoxy)phenyl)amino)carbonyl)benzamide, 2-chloro-n-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
Molecular Formula
C15H10ClF3N2O3
Molecular Weight
358.70  g/mol
InChI Key
XAIPTRIXGHTTNT-UHFFFAOYSA-N
FDA UNII
3FT64DYG8K

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
2.1.2 InChI
InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)
2.1.3 InChI Key
XAIPTRIXGHTTNT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl
2.2 Other Identifiers
2.2.1 UNII
3FT64DYG8K
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(4-trifluoromethoxyphenyl)-3-(2-chlorobenzoyl)urea

2. 2-chloro-n-(4-(trifluoromethoxy)phenylaminocarbonyl)benzamide

3. Alsystin

4. Bay Sir 8514

5. Bay Vi 7533

6. Bay-sir 8514

7. Bay-sir-8514

8. Oms 2014

9. Oms-2014

10. Sir 8514

2.3.2 Depositor-Supplied Synonyms

1. 64628-44-0

2. Trifluron

3. Triflumuron [iso]

4. Sir 8514

5. 2-chloro-n-(((4-(trifluoromethoxy)phenyl)amino)carbonyl)benzamide

6. 2-chloro-n-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide

7. Alsystin

8. 3ft64dyg8k

9. 1-(o-chlorobenzoyl)-3-(p-(trifluoromethoxy)phenyl)urea

10. Chebi:39388

11. Mascot

12. Benzamide, 2-chloro-n-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-

13. Alsystine

14. Bay-sir 8514

15. Caswell No. 217c

16. 2-chloro-n-((4-(trifluoromethoxy)phenyl)carbamoyl)benzamide

17. 2-chloro-n-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide

18. 2-chloro-n-({[4-(trifluoromethoxy)phenyl]amino}carbonyl)benzamide

19. Benzamide, 2-chloro-n-(((4-(trifluoromethoxy)phenyl)amino)carbonyl)-

20. Bay-vi 7533

21. Oms 2015

22. Einecs 264-980-3

23. Unii-3ft64dyg8k

24. Epa Pesticide Chemical Code 118201

25. Brn 2776684

26. Ai3-29368

27. Triflumuron [mi]

28. Dsstox_cid_14355

29. Dsstox_rid_79145

30. Triflumuron [mart.]

31. Dsstox_gsid_34355

32. Schembl23700

33. Spectrum1505170

34. 1-(2-chlorobenzoyl)-3-(4-trifluoromethoxyphenyl)urea

35. Chembl1394379

36. Dtxsid5034355

37. Zinc1845293

38. Tox21_301874

39. Mfcd00072496

40. Akos015889501

41. Ccg-231010

42. Triflumuron 100 Microg/ml In Methanol

43. Ncgc00094568-01

44. Ncgc00094568-02

45. Ncgc00255190-01

46. As-13364

47. Cas-64628-44-0

48. Db-054703

49. Ft-0630748

50. C18615

51. E78670

52. Triflumuron, Pestanal(r), Analytical Standard

53. 628t440

54. A834834

55. Q1995523

56. 1-(2-chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]urea

57. Triflumuron, Certified Reference Material, Tracecert(r)

58. 2-chloro-n-(4-(trifluoromethoxy)phenylcarbamoyl)benzamide

59. 2-chloro-n-[oxo-[4-(trifluoromethoxy)anilino]methyl]benzamide

60. 2-chloranyl-n-[[4-(trifluoromethyloxy)phenyl]carbamoyl]benzamide

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 358.70 g/mol
Molecular Formula C15H10ClF3N2O3
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass358.0332044 g/mol
Monoisotopic Mass358.0332044 g/mol
Topological Polar Surface Area67.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Insecticides

Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)


Chemosterilants

Compounds that cause reproductive sterility in organisms. They are sometimes used to control pest populations by sterilizing males within the population. (See all compounds classified as Chemosterilants.)