Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 25961-11-9, 3-chloro-5-acetyliminodibenzyl, 1-(3-chloro-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)ethanone, 1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone, 5-acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine, 5-acetyl-3-chloroiminodibenzyl
Molecular Formula
C16H14ClNO
Molecular Weight
271.74  g/mol
InChI Key
NMZOSOMVILZBJL-UHFFFAOYSA-N
FDA UNII
50MZ2KM0ZX

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
2.1.2 InChI
InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3
2.1.3 InChI Key
NMZOSOMVILZBJL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
2.2 Other Identifiers
2.2.1 UNII
50MZ2KM0ZX
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 25961-11-9

2. 3-chloro-5-acetyliminodibenzyl

3. 1-(3-chloro-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)ethanone

4. 1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

5. 5-acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine

6. 5-acetyl-3-chloroiminodibenzyl

7. 5-acetyl-3-chloro-10,11-dihydro-5h-dibenz(b,f)azepine

8. 50mz2km0zx

9. Mfcd01632170

10. 5h-dibenz[b,f]azepine, 5-acetyl-3-chloro-10,11-dihydro-

11. Ethanone, 1-(3-chloro-10,11-dihydro-5h-dibenz[b,f]azepin-5-yl)-

12. Einecs 247-371-7

13. 1-(3-chloro-10,11-dihydro-5h-dibenzo(b,f)azepin-5-yl)ethanone

14. Ethanone, 1-(3-chloro-10,11-dihydro-5h-dibenz(b,f)azepin-5-yl)-

15. Carbamazepine Impurity 1

16. Unii-50mz2km0zx

17. Chembl3580710

18. 3-chloro-5-acetyl-iminodibenzyl

19. Dtxsid30180627

20. Bcp34514

21. Zinc5160120

22. Akos015900349

23. Ac-3538

24. Cs-w012364

25. 5-acetyl-3-chloro-2,2'-iminodibenzyl

26. As-15171

27. Sy037118

28. Ft-0645035

29. H11317

30. 961a119

31. A818109

32. J-650003

33. J-650389

34. 1-(3-chloro-10,11-dihydrodibenzo[b,f]azepin-5-yl)ethanone

35. 3-chloro-5-acetyl-10,11-dihydro-dibenzo[b,f] Azepine

36. 1-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

37. 1-{14-chloro-2-azatricyclo[9.4.0.03]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}ethan-1-one

38. 3-chloro-5-acetyliminodibenzyl;1-(3-chloro-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)ethanone

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 271.74 g/mol
Molecular Formula C16H14ClNO
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass271.0763918 g/mol
Monoisotopic Mass271.0763918 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1