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

C24H18Cl3F7N2O2 — CID 130291257

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

2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide (PubChem CID 130291257) has the molecular formula C24H18Cl3F7N2O2 and a molecular weight of 605.76 g/mol. Its IUPAC name is 2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide.

Molecular Properties

• Compound Name: 2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
• PubChem CID: 130291257
• Molecular Formula: C24H18Cl3F7N2O2
• Molecular Weight: 605.76 g/mol
• Exact Mass: 604.03
• IUPAC Name: 2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
• SMILES: C=Cc1cc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)ccc1C(=O)NC(C)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C24H18Cl3F7N2O2/c1-3-12-6-13(4-5-15(12)22(38)36-11(2)21(37)35-10-23(29,30)31)19(28)9-16(24(32,33)34)14-7-17(25)20(27)18(26)8-14/h3-9,11,16H,1,10H2,2H3,(H,35,37)(H,36,38)/b19-9-
• InChIKey: OEPKUUMOSRQTPC-OCKHKDLRSA-N
• XLogP: 7.74
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.76
LogP ≤ 5	7.74
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 2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

The IUPAC name of 2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide (CID 130291257) is 2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide.

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

The canonical SMILES for 2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide is C=Cc1cc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)ccc1C(=O)NC(C)C(=O)NCC(F)(F)F.

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

The InChIKey is OEPKUUMOSRQTPC-OCKHKDLRSA-N. The full InChI is InChI=1S/C24H18Cl3F7N2O2/c1-3-12-6-13(4-5-15(12)22(38)36-11(2)21(37)35-10-23(29,30)31)19(28)9-16(24(32,33)34)14-7-17(25)20(27)18(26)8-14/h3-9,11,16H,1,10H2,2H3,(H,35,37)(H,36,38)/b19-9-.

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

2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide has a molecular weight of 605.76 g/mol, XLogP of 7.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethenyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide is sourced from PubChem (CID 130291257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).