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CAS 149524-45-8
PharmaCompass
  • Chemistry
CAS 149524-45-8
Also known as: 149524-45-8, (s)-n-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide, N-{[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide, (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-ylmethyl]acetamide, (s)-n-((3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide, Acetamide, n-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-
Molecular Formula
C12H12FIN2O3
Molecular Weight
378.142  g/mol
InChI Key
YLWDRZMLYRIMNV-VIFPVBQESA-N

1 2D Structure

CAS 149524-45-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
2.1.2 InChI
InChI=1S/C12H12FIN2O3/c1-7(17)15-5-9-6-16(12(18)19-9)8-2-3-11(14)10(13)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m0/s1
2.1.3 InChI Key
YLWDRZMLYRIMNV-VIFPVBQESA-N
2.1.4 Canonical SMILES
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)I)F
2.1.5 Isomeric SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)I)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 149524-45-8

2. (s)-n-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide

3. N-{[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

4. (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-ylmethyl]acetamide

5. (s)-n-((3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

6. Acetamide, N-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-

7. N-{[(5s)-3-{3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

8. Pubchem13956

9. C12h12fin2o3

10. Schembl1033023

11. Ctk6a0560

12. Dtxsid60459277

13. Act05078

14. Cs-m1500

15. 2983ah

16. Mfcd09608095

17. Zinc34650309

18. Akos015909773

19. Aj-89928

20. Ak-43094

21. Kb-05627

22. Ft-0770861

23. S-7994

24. I14-31933

25. (s)-n-[[3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide

26. (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamide

27. (s)-n-3-(3-fluoro-4-iodophenyl)-2-oxo-oxazolidin-5-ylmethylacetamide

28. N-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5(s)-ylmethyl]-acetamide

29. (5s)-n-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide

30. (s)(-)-n-[[3-[4-iodo-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl] Acetamide

31. (s)-(-)-n-[[3-[4-iodo-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide

32. Acetamide,n-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-

33. N-{[(5s)-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 378.142 g/mol
Molecular Formula C12H12FIN2O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass377.988 g/mol
Monoisotopic Mass377.988 g/mol
Topological Polar Surface Area58.6 A^2
Heavy Atom Count19
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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