3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H15FN2O2 — CID 137463164

IUPAC3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cccc(-c2ccc(C3=NNC(=O)CC3)cc2F)c1
InChIInChI=1S/C17H15FN2O2/c1-22-13-4-2-3-11(9-13)14-6-5-12(10-15(14)18)16-7-8-17(21)20-19-16/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyKNGGFWFURDZSLY-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.12
Rot. Bonds3

About 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137463164) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137463164
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cccc(-c2ccc(C3=NNC(=O)CC3)cc2F)c1
InChIInChI=1S/C17H15FN2O2/c1-22-13-4-2-3-11(9-13)14-6-5-12(10-15(14)18)16-7-8-17(21)20-19-16/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyKNGGFWFURDZSLY-UHFFFAOYSA-N
XLogP3.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137463164) is 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is COc1cccc(-c2ccc(C3=NNC(=O)CC3)cc2F)c1.
What is the InChIKey of 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KNGGFWFURDZSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-22-13-4-2-3-11(9-13)14-6-5-12(10-15(14)18)16-7-8-17(21)20-19-16/h2-6,9-10H,7-8H2,1H3,(H,20,21).
What are the key properties of 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 298.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(3-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137463164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).