2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide

C20H17FN4O4 — CID 7663368

IUPAC2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1
InChIInChI=1S/C20H17FN4O4/c1-2-13-3-5-14(6-4-13)17-9-10-20(27)24(23-17)12-19(26)22-15-7-8-16(21)18(11-15)25(28)29/h3-11H,2,12H2,1H3,(H,22,26)
InChIKeyGZTKODVYTVFPEO-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.16
Rot. Bonds6

About 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide

2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide (PubChem CID 7663368) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
PubChem CID7663368
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1
InChIInChI=1S/C20H17FN4O4/c1-2-13-3-5-14(6-4-13)17-9-10-20(27)24(23-17)12-19(26)22-15-7-8-16(21)18(11-15)25(28)29/h3-11H,2,12H2,1H3,(H,22,26)
InChIKeyGZTKODVYTVFPEO-UHFFFAOYSA-N
XLogP3.16
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide (CID 7663368) is 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide is CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide?
The InChIKey is GZTKODVYTVFPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-2-13-3-5-14(6-4-13)17-9-10-20(27)24(23-17)12-19(26)22-15-7-8-16(21)18(11-15)25(28)29/h3-11H,2,12H2,1H3,(H,22,26).
What are the key properties of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide?
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide has a molecular weight of 396.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide is sourced from PubChem (CID 7663368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).