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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Triflumuron

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 Formula	C₁₅H₁₀ClF₃N₂O₃
Molecular Weight	358.70 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	358.0332044 g/mol
Monoisotopic Mass	358.0332044 g/mol
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	454
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.)

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