CAS 1289942-66-0

Also known as: 1289942-66-0, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine, Enzalutamide its-2, Mfcd22581651, 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic acid, 2-((3-fluoro-4-(methylcarbamoyl)phenyl)-amino)-2-methylpropanoic acid

Molecular Formula

C₁₂H₁₅FN₂O₃

Molecular Weight

254.26 g/mol

InChI Key

IAAHEGARPMZSTJ-UHFFFAOYSA-N

1 2D Structure

CAS 1289942-66-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic acid

2.1.2 InChI

InChI=1S/C12H15FN2O3/c1-12(2,11(17)18)15-7-4-5-8(9(13)6-7)10(16)14-3/h4-6,15H,1-3H3,(H,14,16)(H,17,18)

2.1.3 InChI Key

IAAHEGARPMZSTJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1289942-66-0

2. N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine

3. Enzalutamide Its-2

4. Mfcd22581651

5. 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic Acid

6. 2-((3-fluoro-4-(methylcarbamoyl)phenyl)-amino)-2-methylpropanoic Acid

7. 2-[[3-fluoro-4-(methylcarbamoyl)phenyl]amino]-2-methylpropanoic Acid

8. 2-(3-fluoro-4-methylcarbamoyl-phenylamino)-2-methyl-propionic Acid

9. 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methyl-propanoic Acid

10. Schembl1646774

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

12. Amy16509

13. Cs-m2260

14. Hy-i0124

15. Zinc85577566

16. Akos024262437

17. Ac-31315

18. As-10193

19. Sy116162

20. Ft-0696838

21. A850065

22. 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoicacid

23. 2-(4-(methylcarbamoyl)-3-fluorophenylamino)-2-methylpropanoic Acid

24. 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl Propanoic Acid

25. 2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropanoic Acid;2-[[3-fluoro-4-(methylcarbamoyl)phenyl]amino]-2-methylpropanoic Acid

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅FN₂O₃
Molecular Weight	254.26 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	254.10667051 g/mol
Monoisotopic Mass	254.10667051 g/mol
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	333
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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Shandong Boyuan Pharmaceutical

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1289942-66-0

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N-[3-Fluoro-4- [(methylamino)carbon...

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We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.

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Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.

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