N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide

C20H14Cl2FN3O3 — CID 30837174

IUPACN'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1Cl)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H14Cl2FN3O3/c21-14-7-4-12(5-8-14)10-26-11-13(6-9-17(26)27)19(28)24-25-20(29)18-15(22)2-1-3-16(18)23/h1-9,11H,10H2,(H,24,28)(H,25,29)
InChIKeyAOMCADLSXXCCNV-UHFFFAOYSA-N
MW434.25 g/mol
LogP3.42
Rot. Bonds4

About N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide

N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide (PubChem CID 30837174) has the molecular formula C20H14Cl2FN3O3 and a molecular weight of 434.25 g/mol. Its IUPAC name is N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
PubChem CID30837174
Molecular FormulaC20H14Cl2FN3O3
Molecular Weight434.25 g/mol
Exact Mass433.04
IUPAC NameN'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1Cl)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H14Cl2FN3O3/c21-14-7-4-12(5-8-14)10-26-11-13(6-9-17(26)27)19(28)24-25-20(29)18-15(22)2-1-3-16(18)23/h1-9,11H,10H2,(H,24,28)(H,25,29)
InChIKeyAOMCADLSXXCCNV-UHFFFAOYSA-N
XLogP3.42
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide (CID 30837174) is N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide is O=C(NNC(=O)c1c(F)cccc1Cl)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide?
The InChIKey is AOMCADLSXXCCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN3O3/c21-14-7-4-12(5-8-14)10-26-11-13(6-9-17(26)27)19(28)24-25-20(29)18-15(22)2-1-3-16(18)23/h1-9,11H,10H2,(H,24,28)(H,25,29).
What are the key properties of N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide?
N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide has a molecular weight of 434.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-fluorobenzoyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 30837174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).