4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide

C25H13Cl3F10N2O — CID 130269413

About 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide

4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide (PubChem CID 130269413) has the molecular formula C25H13Cl3F10N2O and a molecular weight of 653.73 g/mol. Its IUPAC name is 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide.

Molecular Properties

• Compound Name: 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
• PubChem CID: 130269413
• Molecular Formula: C25H13Cl3F10N2O
• Molecular Weight: 653.73 g/mol
• Exact Mass: 651.99
• IUPAC Name: 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
• SMILES: O=C(NC(c1ccccn1)C(F)(F)F)c1ccc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F
• InChI: InChI=1S/C25H13Cl3F10N2O/c26-16-8-12(9-17(27)20(16)28)14(23(30,31)32)10-18(29)11-4-5-13(15(7-11)24(33,34)35)22(41)40-21(25(36,37)38)19-3-1-2-6-39-19/h1-10,14,21H,(H,40,41)/b18-10-
• InChIKey: KZNXRQKUWGTWGA-ZDLGFXPLSA-N
• XLogP: 9.75
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.73
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	1
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-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide?

The IUPAC name of 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide (CID 130269413) is 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)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-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide?

The canonical SMILES for 4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide is O=C(NC(c1ccccn1)C(F)(F)F)c1ccc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(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-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide?

The InChIKey is KZNXRQKUWGTWGA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C25H13Cl3F10N2O/c26-16-8-12(9-17(27)20(16)28)14(23(30,31)32)10-18(29)11-4-5-13(15(7-11)24(33,34)35)22(41)40-21(25(36,37)38)19-3-1-2-6-39-19/h1-10,14,21H,(H,40,41)/b18-10-.

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

4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide has a molecular weight of 653.73 g/mol, XLogP of 9.75, 6 rotatable bonds, 1 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-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 130269413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).