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CAS 149524-45-8
Also known as: 149524-45-8, (s)-n-((3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide, (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamide, (s)-n-[3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-ylmethyl]acetamide, N-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide, Acetamide,n-[[(5s)-3-(3-fluoro-4-iodophenyl)-2-oxo-5-oxazolidinyl]methyl]-
Molecular Formula
C12H12FIN2O3
Molecular Weight
378.14  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-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

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

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

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

9. Schembl1033023

10. Dtxsid60459277

11. Act05078

12. Cs-m1500

13. Mfcd09608095

14. Zinc34650309

15. Akos015909773

16. As-37734

17. Ft-0770861

18. A910777

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

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

21. (5s)-n-[3-(3-fluoro-4-iodo-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide

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

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

24. 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 378.14 g/mol
Molecular Formula C12H12FIN2O3
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass377.98767 g/mol
Monoisotopic Mass377.98767 g/mol
Topological Polar Surface Area58.6 Ų
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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