CAS 90357-53-2

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2 End Use APIs
54 Related Intermediates

Chemistry

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Also known as: 90357-53-2, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methacrylamide, N-methacryloyl-4-cyano-3-trifluoromethylaniline, N-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide, 2-propenamide, n-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-

Molecular Formula

C₁₂H₉F₃N₂O

Molecular Weight

254.21 g/mol

InChI Key

HHWDZLSGDDXUSM-UHFFFAOYSA-N

1 2D Structure

CAS 90357-53-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide

2.1.2 InChI

InChI=1S/C12H9F3N2O/c1-7(2)11(18)17-9-4-3-8(6-16)10(5-9)12(13,14)15/h3-5H,1H2,2H3,(H,17,18)

2.1.3 InChI Key

HHWDZLSGDDXUSM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 90357-53-2

2. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methacrylamide

3. N-methacryloyl-4-cyano-3-trifluoromethylaniline

4. N-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide

5. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide

6. 2-propenamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-

7. Mfcd03411609

8. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide

9. Bicalutamide Impurity 1

10. Ec 427-880-2

11. N-(4-cyano-3-trifluoromethylphenyl)methacrylamide

12. Schembl202386

13. Dtxsid20456989

14. Zinc2524908

15. Akos015900543

16. Ac-8963

17. Ds-14914

18. Sy033448

19. Am20041371

20. Cs-0158076

21. Ft-0651717

22. Ft-0655086

23. 357c532

24. N-[3-(trifluoromethyl)-4-cyanophenyl]methacrylamide

25. Q-100885

26. 2-methyl-n-(4-cyano-3-trifluoromethyl-phenyl)-acrylamide

27. N-(4-cyano-3-trifluoromethyl-phenyl)-2-methyl-acrylamide

28. 2-propenamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl

29. N-methacryloyl-4-cyano-3-trifluoromethylaniline; N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-propenamide;n-(4-cyano-3-(trifluoromethyl)phenyl)methacrylamide;n-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₉F₃N₂O
Molecular Weight	254.21 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	254.06669740 g/mol
Monoisotopic Mass	254.06669740 g/mol
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	394
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