Benzamide

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

1 API Suppliers, 1 USDMF

PRICE INFORMATION

API Reference Price, API Exports, API Imports, FDF Imports

REF. STANDARDS & IMPURITIES

2 USP

2 USP

Also known as: Krp-297, 213252-19-8, Krp297, Mk 767, Mk-767, Krp 297

Molecular Formula

C₂₀H₁₇F₃N₂O₄S

Molecular Weight

438.4 g/mol

InChI Key

NFFXEUUOMTXWCX-UHFFFAOYSA-N

1 2D Structure

Benzamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

2.1.2 InChI

InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)

2.1.3 InChI Key

NFFXEUUOMTXWCX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)CC2C(=O)NC(=O)S2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Kcl1998001079

2. Krp 297

3. Krp-297

4. Krp297

5. L 410198

6. L-410198

7. L410198

8. Mk 767

9. Mk-767

10. Mk767 Cpd

2.2.2 Depositor-Supplied Synonyms

1. Krp-297

2. 213252-19-8

3. Krp297

4. Mk 767

5. Mk-767

6. Krp 297

7. 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl]benzamide

8. 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-n-[4-(trifluoromethyl)benzyl]benzamide

9. 5-((2,4-dioxothiazolidin-5-yl)methyl)-2-methoxy-n-(4-(trifluoromethyl)benzyl)benzamide

10. 5-(2,4-dioxo-thiazolidin-5-ylmethyl)-2-methoxy-n-(4-trifluoromethyl-benzyl)-benzamide

11. Mk767 Cpd

12. 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-n-{[4-(trifluoromethyl)phenyl]methyl}benzamide

13. L410198

14. L 410198

15. Kcl1998001079

16. Schembl3922

17. Mls006010319

18. L-410198

19. Gtpl2677

20. Dtxsid90870239

21. Akos005067111

22. Ncgc00263123-01

23. Ac-31436

24. Benzamide, 5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-n-((4-(trifluoromethyl)phenyl)methyl)-

25. Smr004701384

26. Hy-119248

27. Cs-0077355

28. E98692

29. Q27086690

30. N-(4-trifluoromethylbenzyl)-5-(2,4-dioxothiazolidin-5-yl)methyl-2-methoxybenzamide

31. 5-[(2,4-dioxothiazolidin-5-yl) Methyl]-2-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl] Benzamide

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₇F₃N₂O₄S
Molecular Weight	438.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	438.08611269 g/mol
Monoisotopic Mass	438.08611269 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	653
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1