3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one

C18H17FN2O2 — CID 137463063

IUPAC3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCOc1ccccc1-c1ccc(C2=NNC(=O)CC2)cc1F
InChIInChI=1S/C18H17FN2O2/c1-2-23-17-6-4-3-5-14(17)13-8-7-12(11-15(13)19)16-9-10-18(22)21-20-16/h3-8,11H,2,9-10H2,1H3,(H,21,22)
InChIKeyXNZCYZHVFTXVSV-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.51
Rot. Bonds4

About 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137463063) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137463063
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCOc1ccccc1-c1ccc(C2=NNC(=O)CC2)cc1F
InChIInChI=1S/C18H17FN2O2/c1-2-23-17-6-4-3-5-14(17)13-8-7-12(11-15(13)19)16-9-10-18(22)21-20-16/h3-8,11H,2,9-10H2,1H3,(H,21,22)
InChIKeyXNZCYZHVFTXVSV-UHFFFAOYSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137463063) is 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one is CCOc1ccccc1-c1ccc(C2=NNC(=O)CC2)cc1F.
What is the InChIKey of 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XNZCYZHVFTXVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-2-23-17-6-4-3-5-14(17)13-8-7-12(11-15(13)19)16-9-10-18(22)21-20-16/h3-8,11H,2,9-10H2,1H3,(H,21,22).
What are the key properties of 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 312.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyphenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137463063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).