2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide

C15H14FN3O2 — CID 3224525

IUPAC2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C15H14FN3O2/c1-2-9-17-14(20)10-19-15(21)8-7-13(18-19)11-5-3-4-6-12(11)16/h2-8H,1,9-10H2,(H,17,20)
InChIKeyZNJFGVHSZABETE-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.35
Rot. Bonds5

About 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide

2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 3224525) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide
PubChem CID3224525
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C15H14FN3O2/c1-2-9-17-14(20)10-19-15(21)8-7-13(18-19)11-5-3-4-6-12(11)16/h2-8H,1,9-10H2,(H,17,20)
InChIKeyZNJFGVHSZABETE-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
N-(4-fluorobenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4582595
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
N-[(E)-(4-fluorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 9612950
(Z)-N-[1-Methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-acrylamide
CID 9699567
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3235823
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3237638
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3238833

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide (CID 3224525) is 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is ZNJFGVHSZABETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-2-9-17-14(20)10-19-15(21)8-7-13(18-19)11-5-3-4-6-12(11)16/h2-8H,1,9-10H2,(H,17,20).
What are the key properties of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide?
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 287.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 3224525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).