1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide

C20H16FN3O2 — CID 122133066

IUPAC1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccccc1
InChIInChI=1S/C20H16FN3O2/c1-2-14-23(15-8-4-3-5-9-15)20(26)17-12-13-19(25)24(22-17)18-11-7-6-10-16(18)21/h2-13H,1,14H2
InChIKeyKGJRYHLMUWMHDP-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.20
Rot. Bonds5

About 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide

1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 122133066) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID122133066
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccccc1
InChIInChI=1S/C20H16FN3O2/c1-2-14-23(15-8-4-3-5-9-15)20(26)17-12-13-19(25)24(22-17)18-11-7-6-10-16(18)21/h2-13H,1,14H2
InChIKeyKGJRYHLMUWMHDP-UHFFFAOYSA-N
XLogP3.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide (CID 122133066) is 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide is C=CCN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is KGJRYHLMUWMHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-2-14-23(15-8-4-3-5-9-15)20(26)17-12-13-19(25)24(22-17)18-11-7-6-10-16(18)21/h2-13H,1,14H2.
What are the key properties of 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-oxo-N-phenyl-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 122133066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).