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CAS 915087-25-1
Also known as: 915087-25-1, Enzalutamide its-3, Benzamide, 4-amino-2-fluoro-n-methyl-, N-methyl-2-fluoro-4-aminobenzamide, Y2h4hb3fql, Mfcd09909322
Molecular Formula
C8H9FN2O
Molecular Weight
168.17  g/mol
InChI Key
XOKAXPQJUODMSH-UHFFFAOYSA-N
FDA UNII
Y2H4HB3FQL

1 2D Structure

CAS 915087-25-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-2-fluoro-N-methylbenzamide
2.1.2 InChI
InChI=1S/C8H9FN2O/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3,(H,11,12)
2.1.3 InChI Key
XOKAXPQJUODMSH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC(=O)C1=C(C=C(C=C1)N)F
2.2 Other Identifiers
2.2.1 UNII
Y2H4HB3FQL
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 915087-25-1

2. Enzalutamide Its-3

3. Benzamide, 4-amino-2-fluoro-n-methyl-

4. N-methyl-2-fluoro-4-aminobenzamide

5. Y2h4hb3fql

6. Mfcd09909322

7. Unii-y2h4hb3fql

8. Schembl547746

9. Amy6472

10. Dtxsid90657628

11. 2-fluoro-4-amino-n-methylbenzamide

12. 4-amino-n-methyl-2-fluorobenzamide

13. Bcp12301

14. Cs-m1520

15. N-methyl 4-amino-2-fluorobenzamide

16. Ab3026

17. Zinc43570450

18. 4-amino-2-fluoro-n-methyl-benzamide

19. N-methyl-2-fluoro-4 -aminobenzamide

20. Akos010976925

21. Benzamide,4-amino-2-fluoro-n-methyl-

22. Ds-5089

23. Ac-29989

24. Sy111564

25. 4-?amino-?2-?fluoro-?n-?methylbenzamide

26. Db-079058

27. Ft-0737732

28. A24304

29. 4-amino-2-fluoro-n-methylbenzamide;2-fluoro-n-methyl-4-nitrobenzamide

2.4 Create Date
2009-08-10
3 Chemical and Physical Properties
Molecular Weight 168.17 g/mol
Molecular Formula C8H9FN2O
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass168.06989108 g/mol
Monoisotopic Mass168.06989108 g/mol
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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