6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one

C20H15ClF2N2O2 — CID 158622359

IUPAC6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one
SMILESCC(C(=O)Cc1cc(F)cc(F)c1)n1nc(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C20H15ClF2N2O2/c1-12(19(26)9-13-7-16(22)11-17(23)8-13)25-20(27)6-5-18(24-25)14-3-2-4-15(21)10-14/h2-8,10-12H,9H2,1H3
InChIKeyHYDWEPQOIZHSJI-UHFFFAOYSA-N
MW388.80 g/mol
LogP4.21
Rot. Bonds5

About 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one

6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one (PubChem CID 158622359) has the molecular formula C20H15ClF2N2O2 and a molecular weight of 388.80 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one
PubChem CID158622359
Molecular FormulaC20H15ClF2N2O2
Molecular Weight388.80 g/mol
Exact Mass388.08
IUPAC Name6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one
SMILESCC(C(=O)Cc1cc(F)cc(F)c1)n1nc(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C20H15ClF2N2O2/c1-12(19(26)9-13-7-16(22)11-17(23)8-13)25-20(27)6-5-18(24-25)14-3-2-4-15(21)10-14/h2-8,10-12H,9H2,1H3
InChIKeyHYDWEPQOIZHSJI-UHFFFAOYSA-N
XLogP4.21
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one (CID 158622359) is 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one is CC(C(=O)Cc1cc(F)cc(F)c1)n1nc(-c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one?
The InChIKey is HYDWEPQOIZHSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O2/c1-12(19(26)9-13-7-16(22)11-17(23)8-13)25-20(27)6-5-18(24-25)14-3-2-4-15(21)10-14/h2-8,10-12H,9H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one?
6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one has a molecular weight of 388.80 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one is sourced from PubChem (CID 158622359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).