N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide

C24H13Cl3F8N2O — CID 135341605

About N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide

N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide (PubChem CID 135341605) has the molecular formula C24H13Cl3F8N2O and a molecular weight of 603.72 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

• Compound Name: N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
• PubChem CID: 135341605
• Molecular Formula: C24H13Cl3F8N2O
• Molecular Weight: 603.72 g/mol
• Exact Mass: 602.00
• IUPAC Name: N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
• SMILES: O=C(NNc1ccccc1F)c1ccc(C(F)=CC(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F
• InChI: InChI=1S/C24H13Cl3F8N2O/c25-16-8-12(9-17(26)21(16)27)14(23(30,31)32)10-19(29)11-5-6-13(15(7-11)24(33,34)35)22(38)37-36-20-4-2-1-3-18(20)28/h1-10,14,36H,(H,37,38)
• InChIKey: SILNIRXDSSOINO-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.72
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?

The IUPAC name of N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide (CID 135341605) is N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide.

What is the SMILES notation for N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?

The canonical SMILES for N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide is O=C(NNc1ccccc1F)c1ccc(C(F)=CC(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F.

What is the InChIKey of N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?

The InChIKey is SILNIRXDSSOINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl3F8N2O/c25-16-8-12(9-17(26)21(16)27)14(23(30,31)32)10-19(29)11-5-6-13(15(7-11)24(33,34)35)22(38)37-36-20-4-2-1-3-18(20)28/h1-10,14,36H,(H,37,38).

What are the key properties of N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?

N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide has a molecular weight of 603.72 g/mol, XLogP of 9.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 135341605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).