1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

2.1.2 InChI

InChI=1S/C13H16F3NO2/c1-19-8-2-3-12(18)17-9-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18)

2.1.3 InChI Key

QLZOWJNFLXSDSH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCCCC(=O)NCC1=CC=C(C=C1)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

U5CLZ223FH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Get-73

2. 202402-01-5

3. Get73

4. Get 73

5. U5clz223fh

6. 4-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl]butanamide

7. 4-methoxy-n-(4-(trifluoromethyl)benzyl)butanamide

8. N-[4-(trifluoromethyl)benzyl]-4-methoxybutyramide

9. Unii-u5clz223fh

10. Schembl2909880

11. Chembl4297543

12. Bcp32664

13. Cia40201

14. Akos037648866

15. Db12928

16. Bs-15893

17. Hy-108034

18. Cs-0027202

19. D84113

20. Get 73; Get73;cas: 202402-20-5

21. Q27290712

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆F₃NO₂
Molecular Weight	275.27 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	275.11331324 g/mol
Monoisotopic Mass	275.11331324 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	274
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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