2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C15H16F2N3O2P — CID 170369188

IUPAC2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)cc1-c1cc(P)cc(F)c1F
InChIInChI=1S/C15H16F2N3O2P/c1-7(2)15-10(5-13(22)20(19-15)6-12(18)21)9-3-8(23)4-11(16)14(9)17/h3-5,7H,6,23H2,1-2H3,(H2,18,21)
InChIKeyOMSLAZYQHSKWMS-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 170369188) has the molecular formula C15H16F2N3O2P and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID170369188
Molecular FormulaC15H16F2N3O2P
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)cc1-c1cc(P)cc(F)c1F
InChIInChI=1S/C15H16F2N3O2P/c1-7(2)15-10(5-13(22)20(19-15)6-12(18)21)9-3-8(23)4-11(16)14(9)17/h3-5,7H,6,23H2,1-2H3,(H2,18,21)
InChIKeyOMSLAZYQHSKWMS-UHFFFAOYSA-N
XLogP1.30
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
CID 170368231
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 162432216
2-[4-(3-fluoro-5-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 170369537
N-(5-fluoropyrimidin-4-yl)-2-[4-(3-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368141
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672237
2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 162364321
2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318868
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368578
2-(4-fluoro-3,6-dimethylindazol-2-yl)acetamide
CID 176997329
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 103223387

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 170369188) is 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is CC(C)c1nn(CC(N)=O)c(=O)cc1-c1cc(P)cc(F)c1F.
What is the InChIKey of 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is OMSLAZYQHSKWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N3O2P/c1-7(2)15-10(5-13(22)20(19-15)6-12(18)21)9-3-8(23)4-11(16)14(9)17/h3-5,7H,6,23H2,1-2H3,(H2,18,21).
What are the key properties of 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 339.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluoro-5-phosphanylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 170369188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).