Omshri Labs

CAS 915087-26-2

Chemistry, 1 End Use API, 10 Related Intermediates

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Also known as: 915087-26-2, 4-[(1-cyanocyclobutyl)amino]-2-fluoro-n-methylbenzamide, 4-(1-cyanocyclobutylamino)-2-fluoro-n-methylbenzamide, N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide, Schembl547834, Dtxsid30657627

Molecular Formula

C₁₃H₁₄FN₃O

Molecular Weight

247.27 g/mol

InChI Key

AAIGLIMPDRXLFW-UHFFFAOYSA-N

1 2D Structure

CAS 915087-26-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide

2.1.2 InChI

InChI=1S/C13H14FN3O/c1-16-12(18)10-4-3-9(7-11(10)14)17-13(8-15)5-2-6-13/h3-4,7,17H,2,5-6H2,1H3,(H,16,18)

2.1.3 InChI Key

AAIGLIMPDRXLFW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=O)C1=C(C=C(C=C1)NC2(CCC2)C#N)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 915087-26-2

2. 4-[(1-cyanocyclobutyl)amino]-2-fluoro-n-methylbenzamide

3. 4-(1-cyanocyclobutylamino)-2-fluoro-n-methylbenzamide

4. N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide

5. Schembl547834

6. Dtxsid30657627

7. Amy23406

8. Ab3592

9. Mfcd09909370

10. Zinc95093221

11. Bs-50071

12. Cs-0330349

13. A915781

14. A1-10735

15. 4-(1-cyano-cyclobutylamino)-2-fluoro-n-methyl-benzamide

16. N-methyl-4-(1 -cyanocyclobutylamino)-2-fluorobenzamide

2.3 Create Date

2009-08-10

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄FN₃O
Molecular Weight	247.27 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	247.11209024 g/mol
Monoisotopic Mass	247.11209024 g/mol
Topological Polar Surface Area	64.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	372
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

Apalutamide

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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