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ACTIVE PHARMA INGREDIENTS

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Also known as: 1584-62-9, 2-bromo-n-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide, 2-bromo-n-(4-chloro-2-(2-fluorobenzoyl)phenyl)acetamide, N-[2-(2-fluorophenyl)-4-chlorophenyl-2-bromoacetamide, 2-bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide, 2-bromoacetamido-5-chloro-2'-fluorobenzophenone

Molecular Formula

C₁₅H₁₀BrClFNO₂

Molecular Weight

370.60 g/mol

InChI Key

WUZSFIKFFXBHMB-UHFFFAOYSA-N

FDA UNII

Z3C8AC8AC2

1 2D Structure

Acetamide 2-Bromo-N-4-Chloro-2-2-Fluorobenzoyl-Phenyl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide

2.1.2 InChI

InChI=1S/C15H10BrClFNO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)

2.1.3 InChI Key

WUZSFIKFFXBHMB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CBr)F

2.2 Other Identifiers

2.2.1 UNII

Z3C8AC8AC2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1584-62-9

2. 2-bromo-n-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide

3. 2-bromo-n-(4-chloro-2-(2-fluorobenzoyl)phenyl)acetamide

4. N-[2-(2-fluorophenyl)-4-chlorophenyl-2-bromoacetamide

5. 2-bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide

6. 2-bromoacetamido-5-chloro-2'-fluorobenzophenone

7. Z3c8ac8ac2

8. 2-bromo-n-(4-chloro-2-(2-fluorobenzoyl)-phenyl)acetamide

9. Acetamide, 2-bromo-n-[4-chloro-2-(2-fluorobenzoyl)phenyl]-

10. Einecs 216-437-7

11. Acetamide, 2-bromo-n-(4-chloro-2-(2-fluorobenzoyl)phenyl)-

12. Unii-z3c8ac8ac2

13. Dsstox_cid_31445

14. Dsstox_rid_97331

15. Dsstox_gsid_57656

16. 5-chloro-2-(bromoacetylamino)-2'-fluorobenzophenone

17. Chembl3185153

18. Dtxsid7057656

19. Zinc1995290

20. Tox21_113843

21. Akos016010657

22. Ncgc00253724-01

23. Cas-1584-62-9

24. Ft-0668616

25. Ft-0668617

26. Y11304

27. W-109684

28. 2-(2-bromoacetamido)-5-chloro-2'-fluorobenzophenone

29. 2-bromoacetamido-5-chloro-2'-fluorobenzophenone;5-chloro-2-(bromoacetylamino)-2'-fluorobenzophenone

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₀BrClFNO₂
Molecular Weight	370.60 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	368.95675 g/mol
Monoisotopic Mass	368.95675 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	396
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