4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

C23H15BrClF10NO2 — CID 147728126

About 4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 147728126) has the molecular formula C23H15BrClF10NO2 and a molecular weight of 642.71 g/mol. Its IUPAC name is 4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-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-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
• PubChem CID: 147728126
• Molecular Formula: C23H15BrClF10NO2
• Molecular Weight: 642.71 g/mol
• Exact Mass: 640.98
• IUPAC Name: 4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
• SMILES: O=C(CCC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)cc(Br)c2)C(F)(F)F)cc1C(F)(F)F)NCC(F)(F)F
• InChI: InChI=1S/C23H15BrClF10NO2/c24-13-5-12(6-14(25)8-13)16(22(30,31)32)9-18(26)11-1-2-15(17(7-11)23(33,34)35)19(37)3-4-20(38)36-10-21(27,28)29/h1-2,5-9,16H,3-4,10H2,(H,36,38)/b18-9-
• InChIKey: GXWUUMJUEBMGOI-NVMNQCDNSA-N
• XLogP: 8.42
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.71
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-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-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (CID 147728126) is 4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-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-bromo-5-chlorophenyl)-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-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is O=C(CCC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)cc(Br)c2)C(F)(F)F)cc1C(F)(F)F)NCC(F)(F)F.

What is the InChIKey of 4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

The InChIKey is GXWUUMJUEBMGOI-NVMNQCDNSA-N. The full InChI is InChI=1S/C23H15BrClF10NO2/c24-13-5-12(6-14(25)8-13)16(22(30,31)32)9-18(26)11-1-2-15(17(7-11)23(33,34)35)19(37)3-4-20(38)36-10-21(27,28)29/h1-2,5-9,16H,3-4,10H2,(H,36,38)/b18-9-.

What are the key properties of 4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?

4-[4-[(Z)-3-(3-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 642.71 g/mol, XLogP of 8.42, 8 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-bromo-5-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 147728126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).