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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

CAS 915087-25-1
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

BUILDING BLOCK

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