Omshri Labs

CAS 1258638-92-4

Chemistry, 1 End Use API, 30 Related Intermediates

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Also known as: 1258638-92-4, Ethyl 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoate, Ethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate, Ethyl2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoate, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-alanine ethyl ester, Alanine, n-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, ethyl ester

Molecular Formula

C₁₄H₁₉FN₂O₃

Molecular Weight

282.31 g/mol

InChI Key

GBQUYIPPBGFGPC-UHFFFAOYSA-N

1 2D Structure

CAS 1258638-92-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate

2.1.2 InChI

InChI=1S/C14H19FN2O3/c1-5-20-13(19)14(2,3)17-9-6-7-10(11(15)8-9)12(18)16-4/h6-8,17H,5H2,1-4H3,(H,16,18)

2.1.3 InChI Key

GBQUYIPPBGFGPC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(C)(C)NC1=CC(=C(C=C1)C(=O)NC)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1258638-92-4

2. Ethyl 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoate

3. Ethyl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate

4. Ethyl2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoate

5. N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-alanine Ethyl Ester

6. Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, Ethyl Ester

7. Schembl16684724

8. Amy42109

9. Cs-m0347

10. Cs-m1519

11. Ethyl N-[3-fluoro-4-(methylcarbamoyl)phenyl]-2-methylalaninate

12. Zinc79016970

13. Akos037649665

14. Cs-13084

15. Hy-77151

16. Db-101140

17. Ethyl N-[3-fluoro-4-(methylcarbamoyl)-phenyl]-2-methylalaninate

18. Alanine,n-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-,ethyl Ester

2.3 Create Date

2012-05-30

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉FN₂O₃
Molecular Weight	282.31 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	282.13797063 g/mol
Monoisotopic Mass	282.13797063 g/mol
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	360
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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4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

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CAS Number

143782-23-4

End Use API

Enzalutamide

About the Company

Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya...

Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya Pradesh. Our company is a leader in chemical technology for Active Pharmaceutical Ingredients (APIs), Intermediates, and custom batch manufacturing. We are committed to “Serve High-Quality Products” to the leading pharma companies in domestic and international markets. Our Research and Development team is highly experienced to synthesis complex and innovative products. We have strong capabilities in process chemistry and develop high quality products efficiently and cost effectively.

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