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

C20H15ClFN3O2 — CID 22452176

IUPAC6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(Cl)c2)nn(C/C=C/c2ccccc2)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)/b7-4+
InChIKeyZLQODUBTDZMLBQ-QPJJXVBHSA-N
MW383.81 g/mol
LogP3.52
Rot. Bonds5

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

6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide (PubChem CID 22452176) 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-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide
PubChem CID22452176
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)c(Cl)c2)nn(C/C=C/c2ccccc2)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)/b7-4+
InChIKeyZLQODUBTDZMLBQ-QPJJXVBHSA-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

Analyze 6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide 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

2-(2-chloro-4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 16014547
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 5046316
2-(2-chloro-6-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 7659696
3-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2-phenylethyl)propanamide
CID 3611297
3-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 5046063
6-(4-chlorophenyl)-2-(2-fluorobenzyl)pyridazin-3(2H)-one
CID 7659790
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-methylbutyl)propanamide
CID 5046308
N-[(2-Chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]propanamide
CID 5122435
4-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)-N-(4-fluorobenzyl)butanamide
CID 16884631
N-(3-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)propyl)-2-(4-fluorophenyl)acetamide
CID 25881814
N-(4-chlorobenzyl)-1-(3-fluorobenzyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42161943

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide (CID 22452176) is 6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide is NC(=O)c1cc(-c2ccc(F)c(Cl)c2)nn(C/C=C/c2ccccc2)c1=O.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide?
The InChIKey is ZLQODUBTDZMLBQ-QPJJXVBHSA-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)/b7-4+.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide?
6-(3-chloro-4-fluorophenyl)-3-oxo-2-[(E)-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-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxamide is sourced from PubChem (CID 22452176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).