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

C23H12Cl4F7N3O — CID 135341639

IUPACN'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
SMILESO=C(NNc1ccc(Cl)cn1)c1ccc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C23H12Cl4F7N3O/c24-12-2-4-19(35-9-12)36-37-21(38)13-3-1-10(5-15(13)23(32,33)34)18(28)8-14(22(29,30)31)11-6-16(25)20(27)17(26)7-11/h1-9,14H,(H,35,36)(H,37,38)/b18-8-
InChIKeyRFAUKCOXMVZYNU-LSCVHKIXSA-N
MW621.17 g/mol
LogP9.13
Rot. Bonds6

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

N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide (PubChem CID 135341639) has the molecular formula C23H12Cl4F7N3O and a molecular weight of 621.17 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
PubChem CID135341639
Molecular FormulaC23H12Cl4F7N3O
Molecular Weight621.17 g/mol
Exact Mass618.96
IUPAC NameN'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
SMILESO=C(NNc1ccc(Cl)cn1)c1ccc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C23H12Cl4F7N3O/c24-12-2-4-19(35-9-12)36-37-21(38)13-3-1-10(5-15(13)23(32,33)34)18(28)8-14(22(29,30)31)11-6-16(25)20(27)17(26)7-11/h1-9,14H,(H,35,36)(H,37,38)/b18-8-
InChIKeyRFAUKCOXMVZYNU-LSCVHKIXSA-N
XLogP9.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.17
LogP ≤ 59.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-pyridin-4-yl-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 135341488
N'-(6-chloro-3-pyridinyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 135341478
4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[6-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 135341650
N'-(2,3,5,6-tetrachloro-4-pyridinyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 135341700
N'-pyridazin-4-yl-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 135341665
N'-(2-fluorophenyl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 135341605
4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 130257894
4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]benzohydrazide
CID 135341484
N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 135341496
N'-(4-methoxyphenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 135341593
N-cyclopropyl-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzamide
CID 130238206
N'-(4-fluoro-2-methylphenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
CID 135341422

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide (CID 135341639) is N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide is O=C(NNc1ccc(Cl)cn1)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 N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?
The InChIKey is RFAUKCOXMVZYNU-LSCVHKIXSA-N. The full InChI is InChI=1S/C23H12Cl4F7N3O/c24-12-2-4-19(35-9-12)36-37-21(38)13-3-1-10(5-15(13)23(32,33)34)18(28)8-14(22(29,30)31)11-6-16(25)20(27)17(26)7-11/h1-9,14H,(H,35,36)(H,37,38)/b18-8-.
What are the key properties of N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?
N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide has a molecular weight of 621.17 g/mol, XLogP of 9.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 135341639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).