AM20060811

Synopsis, Chemistry

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Also known as: 15362-40-0, 1-(2,6-dichlorophenyl)indolin-2-one, Diclofenac amide, 1-(2,6-dichlorophenyl)-1,3-dihydro-2h-indol-2-one, 1-(2,6-dichlorophenyl)-3h-indol-2-one, 1-(2,6-dichlorophenyl)oxindole

Molecular Formula

C₁₄H₉Cl₂NO

Molecular Weight

278.1 g/mol

InChI Key

JCICIFOYVSPMHG-UHFFFAOYSA-N

FDA UNII

CL5Y02756K

1 2D Structure

AM20060811

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,6-dichlorophenyl)-3H-indol-2-one

2.1.2 InChI

InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2

2.1.3 InChI Key

JCICIFOYVSPMHG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

CL5Y02756K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(2,6-dichlorophenyl)indolin-2-one

2. 1-(dcp)i

2.3.2 Depositor-Supplied Synonyms

1. 15362-40-0

2. 1-(2,6-dichlorophenyl)indolin-2-one

3. Diclofenac Amide

4. 1-(2,6-dichlorophenyl)-1,3-dihydro-2h-indol-2-one

5. 1-(2,6-dichlorophenyl)-3h-indol-2-one

6. 1-(2,6-dichlorophenyl)oxindole

7. 2h-indol-2-one, 1-(2,6-dichlorophenyl)-1,3-dihydro-

8. N-(2,6-dichlorophenyl)-2-indolinone

9. 1,3-dihydro-1-(2,6-dichlorophenyl)-2h-indol-2-one

10. Cl5y02756k

11. Nsc-621845

12. 2h-indol-2-one, 1,3-dihydro-1-(2,6-dichlorophenyl)-

13. Einecs 239-399-3

14. Chemdiv3_002423

15. Brn 1538309

16. Unii-cl5y02756k

17. Diclofenac Artifact

18. Mfcd00451393

19. Diclofenac Impurity A

20. N-(2,6-dichlorophenyl)indolin-2-one

21. 1-(2,6-dichlorophenyl)-2-oxoindoline

22. Aceclofenac Impurity I

23. Dsstox_cid_26979

24. Dsstox_rid_82034

25. Dsstox_gsid_46979

26. Diclofenac Related Compound A

27. Mls000527383

28. 1-(2,6-dichloro-phenyl)-1,3-dihydro-indol-2-one

29. Chembl487716

30. F1236-0045

31. Schembl2982634

32. Dtxsid6046979

33. Hms1479o03

34. Hms2295g12

35. Zinc170657

36. Bcp24489

37. Tox21_301756

38. Ac-327

39. Nsc621845

40. Stk709153

41. Akos000530778

42. Ccg-272701

43. Sb64040

44. Upcmld0enat5559022:001

45. Ncgc00245217-01

46. Ncgc00256032-01

47. As-12117

48. Nci60_006351

49. Smr000117857

50. Diclofenac Lactam (diclofenac Impurity A)

51. Cas-15362-40-0

52. Db-043195

53. Aceclofenac Impurity I [ep Impurity]

54. Am20060811

55. Cs-0144094

56. D4260

57. Ft-0627229

58. Diclofenac Related Compound A [usp-rs]

59. 1-[2,6-bis(chloranyl)phenyl]-3h-indol-2-one

60. 2-indolinone, 1-(2,6-dichlorophenyl)-

61. 1-(2,6-dichlorophenyl)-2-indolinone, Aldrichcpr

62. 307d865

63. A809449

64. Diclofenac Sodium Impurity A [ep Impurity]

65. Sr-01000457522

66. J-009036

67. Sr-01000457522-1

68. Brd-k18569286-001-01-2

69. Diclofenac Potassium Impurity A [ep Impurity]

70. Q27275517

71. 1-(2,6-dichlorophenyl)-1,3-dihydro-2h-indol-2-one #

72. N-(2,6-dichlorophenyl)-2-indolinone, Analytical Standard

73. Aceclofenac Impurity I, European Pharmacopoeia (ep) Reference Standard

74. Diclofenac Impurity A, European Pharmacopoeia (ep) Reference Standard

75. Diclofenac Related Compound A, United States Pharmacopeia (usp) Reference Standard

76. N-(2,6-dichlorophenyl)-2-indolinone, British Pharmacopoeia (bp) Reference Standard

77. Voltindole (aceclofenac Ep Impurity I, Diclofenac Ep Impurity A, Diclofenac Amide)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₉Cl₂NO
Molecular Weight	278.1 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	277.0061193 g/mol
Monoisotopic Mass	277.0061193 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	326
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