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Overview of CAS 915087-25-1

Client Email Product
4CH-024964
PharmaCompass
4CH-024964
Also known as: 915087-25-1, Benzamide, 4-amino-2-fluoro-n-methyl-, N-methyl-2-fluoro-4-aminobenzamide, Enzalutamide its-3, Schembl547746, Ks-00000qpx
Molecular Formula
C8H9FN2O
Molecular Weight
168.171  g/mol
InChI Key
XOKAXPQJUODMSH-UHFFFAOYSA-N

1 2D Structure

4CH-024964

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 915087-25-1

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

3. N-methyl-2-fluoro-4-aminobenzamide

4. Enzalutamide Its-3

5. Schembl547746

6. Ks-00000qpx

7. Dtxsid90657628

8. Molport-014-191-244

9. Xokaxpqjuodmsh-uhfffaoysa-n

10. 2-fluoro-4-amino-n-methylbenzamide

11. 4-amino-n-methyl-2-fluorobenzamide

12. Cs-m1520

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

14. 3273ah

15. Ab3026

16. Mfcd09909322

17. Zinc43570450

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

19. Akos010976925

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

21. Ds-5089

22. Qc-4622

23. Ak135551

24. Kb-74946

25. Or155410

26. Sc-95626

27. 4-?amino-?2-?fluoro-?n-?methylbenzamide

28. Aj-108707

29. Db-079058

30. 4ch-024964

31. Ft-0737732

32. St24043206

33. X-2080

2.3 Create Date
2009-08-10
3 Chemical and Physical Properties
Molecular Weight 168.171 g/mol
Molecular Formula C8H9FN2O
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass168.07 g/mol
Monoisotopic Mass168.07 g/mol
Topological Polar Surface Area55.1 A^2
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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