N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide

C18H12ClFN4O3 — CID 2745061

IUPACN'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClFN4O3/c19-12-3-1-11(2-4-12)17(26)21-22-18(27)16-15(25)9-10-24(23-16)14-7-5-13(20)6-8-14/h1-10H,(H,21,26)(H,22,27)
InChIKeyYKJJUPPPFYDFAN-UHFFFAOYSA-N
MW386.77 g/mol
LogP2.10
Rot. Bonds3

About N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide

N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide (PubChem CID 2745061) has the molecular formula C18H12ClFN4O3 and a molecular weight of 386.77 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide
PubChem CID2745061
Molecular FormulaC18H12ClFN4O3
Molecular Weight386.77 g/mol
Exact Mass386.06
IUPAC NameN'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClFN4O3/c19-12-3-1-11(2-4-12)17(26)21-22-18(27)16-15(25)9-10-24(23-16)14-7-5-13(20)6-8-14/h1-10H,(H,21,26)(H,22,27)
InChIKeyYKJJUPPPFYDFAN-UHFFFAOYSA-N
XLogP2.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide (CID 2745061) is N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide is O=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide?
The InChIKey is YKJJUPPPFYDFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O3/c19-12-3-1-11(2-4-12)17(26)21-22-18(27)16-15(25)9-10-24(23-16)14-7-5-13(20)6-8-14/h1-10H,(H,21,26)(H,22,27).
What are the key properties of N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide?
N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide has a molecular weight of 386.77 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 2745061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).