CAS 915087-25-1

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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

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 Formula	C₈H₉FN₂O
Molecular Weight	168.17 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	168.06989108 g/mol
Monoisotopic Mass	168.06989108 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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

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