N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide

C17H15Cl2F2N3O3S — CID 24538204

IUPACN'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C17H15Cl2F2N3O3S/c18-10-5-6-13(12(19)9-10)27-8-2-4-14(25)23-24-15(26)11-3-1-7-22-16(11)28-17(20)21/h1,3,5-7,9,17H,2,4,8H2,(H,23,25)(H,24,26)
InChIKeyVINUTFMZZIEMRJ-UHFFFAOYSA-N
MW450.29 g/mol
LogP4.32
Rot. Bonds8

About N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide

N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide (PubChem CID 24538204) has the molecular formula C17H15Cl2F2N3O3S and a molecular weight of 450.29 g/mol. Its IUPAC name is N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
PubChem CID24538204
Molecular FormulaC17H15Cl2F2N3O3S
Molecular Weight450.29 g/mol
Exact Mass449.02
IUPAC NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C17H15Cl2F2N3O3S/c18-10-5-6-13(12(19)9-10)27-8-2-4-14(25)23-24-15(26)11-3-1-7-22-16(11)28-17(20)21/h1,3,5-7,9,17H,2,4,8H2,(H,23,25)(H,24,26)
InChIKeyVINUTFMZZIEMRJ-UHFFFAOYSA-N
XLogP4.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide 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'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355597
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 55619728
2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
CID 78813989
2-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide
CID 4941766
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide (CID 24538204) is N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1SC(F)F.
What is the InChIKey of N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide?
The InChIKey is VINUTFMZZIEMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F2N3O3S/c18-10-5-6-13(12(19)9-10)27-8-2-4-14(25)23-24-15(26)11-3-1-7-22-16(11)28-17(20)21/h1,3,5-7,9,17H,2,4,8H2,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide?
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide has a molecular weight of 450.29 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 24538204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).