1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C26H18Br2ClF10NO2 — CID 158347285

About 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 158347285) has the molecular formula C26H18Br2ClF10NO2 and a molecular weight of 761.68 g/mol. Its IUPAC name is 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
• PubChem CID: 158347285
• Molecular Formula: C26H18Br2ClF10NO2
• Molecular Weight: 761.68 g/mol
• Exact Mass: 758.92
• IUPAC Name: 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
• SMILES: CN(CC(F)(F)F)C(=O)C1(CC(=O)c2ccc(/C(F)=C/C(c3cc(Br)c(Cl)c(Br)c3)C(F)(F)F)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C26H18Br2ClF10NO2/c1-40(11-24(31,32)33)22(42)23(4-5-23)10-20(41)14-3-2-12(6-16(14)26(37,38)39)19(30)9-15(25(34,35)36)13-7-17(27)21(29)18(28)8-13/h2-3,6-9,15H,4-5,10-11H2,1H3/b19-9-
• InChIKey: GRWRDTQVGDFLRY-OCKHKDLRSA-N
• XLogP: 9.91
• TPSA: 37.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.68
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	0
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 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?

The IUPAC name of 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 158347285) is 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?

The canonical SMILES for 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CN(CC(F)(F)F)C(=O)C1(CC(=O)c2ccc(/C(F)=C/C(c3cc(Br)c(Cl)c(Br)c3)C(F)(F)F)cc2C(F)(F)F)CC1.

What is the InChIKey of 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?

The InChIKey is GRWRDTQVGDFLRY-OCKHKDLRSA-N. The full InChI is InChI=1S/C26H18Br2ClF10NO2/c1-40(11-24(31,32)33)22(42)23(4-5-23)10-20(41)14-3-2-12(6-16(14)26(37,38)39)19(30)9-15(25(34,35)36)13-7-17(27)21(29)18(28)8-13/h2-3,6-9,15H,4-5,10-11H2,1H3/b19-9-.

What are the key properties of 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?

1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 761.68 g/mol, XLogP of 9.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(Z)-3-(3,5-dibromo-4-chlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]-2-oxoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158347285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).