4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

C25H20ClF10NO2 — CID 159170237

About 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 159170237) has the molecular formula C25H20ClF10NO2 and a molecular weight of 591.87 g/mol. Its IUPAC name is 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

• Compound Name: 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
• PubChem CID: 159170237
• Molecular Formula: C25H20ClF10NO2
• Molecular Weight: 591.87 g/mol
• Exact Mass: 591.10
• IUPAC Name: 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
• SMILES: CCc1ccc(C(/C=C(\F)c2ccc(C(=O)CCC(=O)NCC(F)(F)F)c(C(F)(F)F)c2)C(F)(F)F)cc1Cl
• InChI: InChI=1S/C25H20ClF10NO2/c1-2-13-3-4-14(10-19(13)26)17(24(31,32)33)11-20(27)15-5-6-16(18(9-15)25(34,35)36)21(38)7-8-22(39)37-12-23(28,29)30/h3-6,9-11,17H,2,7-8,12H2,1H3,(H,37,39)/b20-11-
• InChIKey: KLPCRBLLBXHOMK-JAIQZWGSSA-N
• XLogP: 8.22
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.87
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

The IUPAC name of 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (CID 159170237) is 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.

What is the SMILES notation for 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

The canonical SMILES for 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is CCc1ccc(C(/C=C(\F)c2ccc(C(=O)CCC(=O)NCC(F)(F)F)c(C(F)(F)F)c2)C(F)(F)F)cc1Cl.

What is the InChIKey of 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

The InChIKey is KLPCRBLLBXHOMK-JAIQZWGSSA-N. The full InChI is InChI=1S/C25H20ClF10NO2/c1-2-13-3-4-14(10-19(13)26)17(24(31,32)33)11-20(27)15-5-6-16(18(9-15)25(34,35)36)21(38)7-8-22(39)37-12-23(28,29)30/h3-6,9-11,17H,2,7-8,12H2,1H3,(H,37,39)/b20-11-.

What are the key properties of 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 591.87 g/mol, XLogP of 8.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(Z)-3-(3-chloro-4-ethylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 159170237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).