4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide

C25H16ClF10N3O2 — CID 135341435

About 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide

4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide (PubChem CID 135341435) has the molecular formula C25H16ClF10N3O2 and a molecular weight of 615.86 g/mol. Its IUPAC name is 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

• Compound Name: 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
• PubChem CID: 135341435
• Molecular Formula: C25H16ClF10N3O2
• Molecular Weight: 615.86 g/mol
• Exact Mass: 615.08
• IUPAC Name: 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
• SMILES: CN(NC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)cc(OC(F)(F)F)c2)C(F)(F)F)cc1C(F)(F)F)c1ccccn1
• InChI: InChI=1S/C25H16ClF10N3O2/c1-39(21-4-2-3-7-37-21)38-22(40)17-6-5-13(10-19(17)24(31,32)33)20(27)12-18(23(28,29)30)14-8-15(26)11-16(9-14)41-25(34,35)36/h2-12,18H,1H3,(H,38,40)/b20-12-
• InChIKey: MZEBJBLCSSPTBO-NDENLUEZSA-N
• XLogP: 8.09
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.86
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide?

The IUPAC name of 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide (CID 135341435) is 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide.

What is the SMILES notation for 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide?

The canonical SMILES for 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide is CN(NC(=O)c1ccc(/C(F)=C/C(c2cc(Cl)cc(OC(F)(F)F)c2)C(F)(F)F)cc1C(F)(F)F)c1ccccn1.

What is the InChIKey of 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide?

The InChIKey is MZEBJBLCSSPTBO-NDENLUEZSA-N. The full InChI is InChI=1S/C25H16ClF10N3O2/c1-39(21-4-2-3-7-37-21)38-22(40)17-6-5-13(10-19(17)24(31,32)33)20(27)12-18(23(28,29)30)14-8-15(26)11-16(9-14)41-25(34,35)36/h2-12,18H,1H3,(H,38,40)/b20-12-.

What are the key properties of 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide?

4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide has a molecular weight of 615.86 g/mol, XLogP of 8.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,4,4,4-tetrafluorobut-1-enyl]-N'-methyl-N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 135341435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).