2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide

C19H22FN3O3 — CID 170368572

IUPAC2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide
SMILESCCOc1nn(CC(=O)N(F)C2CC(C)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C19H22FN3O3/c1-3-26-19-16(14-7-5-4-6-8-14)11-17(24)22(21-19)12-18(25)23(20)15-9-13(2)10-15/h4-8,11,13,15H,3,9-10,12H2,1-2H3
InChIKeyOCDFKGGNULPICV-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.82
Rot. Bonds6

About 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide

2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide (PubChem CID 170368572) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide
PubChem CID170368572
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide
SMILESCCOc1nn(CC(=O)N(F)C2CC(C)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C19H22FN3O3/c1-3-26-19-16(14-7-5-4-6-8-14)11-17(24)22(21-19)12-18(25)23(20)15-9-13(2)10-15/h4-8,11,13,15H,3,9-10,12H2,1-2H3
InChIKeyOCDFKGGNULPICV-UHFFFAOYSA-N
XLogP2.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 170368471
4-Deuterio-2-(1,1-dideuteriopropan-2-yl)-5-(1-ethoxyethenyl)-6-phenylpyridazin-3-one
CID 118937994
5-(1-Ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one
CID 118938049
N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
CID 162432200
2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 162432217
2-(3-Methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
CID 170368976

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide?
The IUPAC name of 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide (CID 170368572) is 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide is CCOc1nn(CC(=O)N(F)C2CC(C)C2)c(=O)cc1-c1ccccc1.
What is the InChIKey of 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide?
The InChIKey is OCDFKGGNULPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-3-26-19-16(14-7-5-4-6-8-14)11-17(24)22(21-19)12-18(25)23(20)15-9-13(2)10-15/h4-8,11,13,15H,3,9-10,12H2,1-2H3.
What are the key properties of 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide?
2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-fluoro-N-(3-methylcyclobutyl)acetamide is sourced from PubChem (CID 170368572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).