6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide

C20H15ClFN3O2 — CID 54553649

IUPAC6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(Cl)c2)nn(CC=Cc2ccccc2)c1=O
InChIInChI=1S/C20H15ClFN3O2/c21-16-11-14(8-9-17(16)22)18-12-15(19(23)26)20(27)25(24-18)10-4-7-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,23,26)
InChIKeyZLQODUBTDZMLBQ-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.52
Rot. Bonds5

About 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide

6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide (PubChem CID 54553649) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide
PubChem CID54553649
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(Cl)c2)nn(CC=Cc2ccccc2)c1=O
InChIInChI=1S/C20H15ClFN3O2/c21-16-11-14(8-9-17(16)22)18-12-15(19(23)26)20(27)25(24-18)10-4-7-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,23,26)
InChIKeyZLQODUBTDZMLBQ-UHFFFAOYSA-N
XLogP3.52
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide (CID 54553649) is 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide is NC(=O)c1cc(-c2ccc(F)c(Cl)c2)nn(CC=Cc2ccccc2)c1=O.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide?
The InChIKey is ZLQODUBTDZMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-16-11-14(8-9-17(16)22)18-12-15(19(23)26)20(27)25(24-18)10-4-7-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,23,26).
What are the key properties of 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide?
6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide is sourced from PubChem (CID 54553649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).