CAS 849217-48-7

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Also known as: 849217-48-7, 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylic acid, 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid, Cyclopropanecarboxylic acid, 1-[[(4-fluorophenyl)amino]carbonyl]-, 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylic acid, 8p43n3dm5y

Molecular Formula

C₁₁H₁₀FNO₃

Molecular Weight

223.20 g/mol

InChI Key

PFMAFXYUHZDKPY-UHFFFAOYSA-N

FDA UNII

8P43N3DM5Y

1 2D Structure

CAS 849217-48-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

2.1.2 InChI

InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-9(14)11(5-6-11)10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)

2.1.3 InChI Key

PFMAFXYUHZDKPY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1(C(=O)NC2=CC=C(C=C2)F)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

8P43N3DM5Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 849217-48-7

2. 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylic Acid

3. 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic Acid

4. Cyclopropanecarboxylic Acid, 1-[[(4-fluorophenyl)amino]carbonyl]-

5. 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylic Acid

6. 8p43n3dm5y

7. Mfcd11226313

8. 1-(((4-fluorophenyl)amino)carbonyl)cyclopropanecarboxylic Acid

9. Cyclopropanecarboxylic Acid, 1-(((4-fluorophenyl)amino)carbonyl)-

10. 1-(4-fluoro-phenylcarbamoyl)-cyclopropanecarboxylic Acid

11. 1-(4-fluoro-phenylcarbamoyl}-cyclopropanecarboxylic Acid

12. 1-{[(4-fluorophenyl)amino]carbonyl}cyclopropanecarboxylic Acid

13. Intermediate Of Cabozantinib

14. Unii-8p43n3dm5y

15. Schembl105644

16. Amy278

17. 1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylicacid

18. Dtxsid00610608

19. Bcp15333

20. Zinc21304711

21. Akos008151310

22. Cs-w019220

23. Sb17898

24. Ac-29722

25. Ds-14316

26. Sy047869

27. F1083

28. Ft-0701258

29. En300-58849

30. A848006

31. J-503319

32. ((4-fluorophenyl)carbamoyl)cyclopropanecarboxylic Acid

33. 1-(4-fluorophenylcarbamoyl)-cyclopropanecarboxylic Acid

34. Z1259041011

35. 1-((4-fluorophenyl)carbamoyl) -cyclopropanecarboxylic Acid

36. 1-((4-fluorophenyl)carbamoyl)-cyclopropanecarboxylic Acid

37. 1-((4-fluorophenyl)carbamoyl)cyclopropane Carboxylic Acid

38. 1-(4-fluorophenylaminocarbonyl)cyclopropanecarboxylic Acid

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀FNO₃
Molecular Weight	223.20 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	223.06447134 g/mol
Monoisotopic Mass	223.06447134 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	306
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