4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide

C24H14Cl3F13N2O2 — CID 130273378

About 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide

4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide (PubChem CID 130273378) has the molecular formula C24H14Cl3F13N2O2 and a molecular weight of 715.72 g/mol. Its IUPAC name is 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide
• PubChem CID: 130273378
• Molecular Formula: C24H14Cl3F13N2O2
• Molecular Weight: 715.72 g/mol
• Exact Mass: 713.99
• IUPAC Name: 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide
• SMILES: O=C(CC(NC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)C(F)(F)F)NCC(F)(F)F
• InChI: InChI=1S/C24H14Cl3F13N2O2/c25-14-4-10(5-15(26)19(14)27)12(22(32,33)34)6-16(28)9-1-2-11(13(3-9)23(35,36)37)20(44)42-17(24(38,39)40)7-18(43)41-8-21(29,30)31/h1-6,12,17H,7-8H2,(H,41,43)(H,42,44)/b16-6-
• InChIKey: GHKOZQLIPNYYSZ-SOFYXZRVSA-N
• XLogP: 9.05
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.72
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide?

The IUPAC name of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide (CID 130273378) is 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide.

What is the SMILES notation for 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide?

The canonical SMILES for 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide is O=C(CC(NC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)C(F)(F)F)NCC(F)(F)F.

What is the InChIKey of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide?

The InChIKey is GHKOZQLIPNYYSZ-SOFYXZRVSA-N. The full InChI is InChI=1S/C24H14Cl3F13N2O2/c25-14-4-10(5-15(26)19(14)27)12(22(32,33)34)6-16(28)9-1-2-11(13(3-9)23(35,36)37)20(44)42-17(24(38,39)40)7-18(43)41-8-21(29,30)31/h1-6,12,17H,7-8H2,(H,41,43)(H,42,44)/b16-6-.

What are the key properties of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide?

4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide has a molecular weight of 715.72 g/mol, XLogP of 9.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-[1,1,1-trifluoro-4-oxo-4-(2,2,2-trifluoroethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 130273378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).