6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

C16H15ClFN3O2 — CID 166358142

IUPAC6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1nc(Cl)ccc1=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H15ClFN3O2/c17-14-7-8-15(22)21(19-14)10-16(23)20-9-1-2-13(20)11-3-5-12(18)6-4-11/h3-8,13H,1-2,9-10H2
InChIKeyFBYHQQLQHAKAIN-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.40
Rot. Bonds3

About 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 166358142) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID166358142
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1nc(Cl)ccc1=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H15ClFN3O2/c17-14-7-8-15(22)21(19-14)10-16(23)20-9-1-2-13(20)11-3-5-12(18)6-4-11/h3-8,13H,1-2,9-10H2
InChIKeyFBYHQQLQHAKAIN-UHFFFAOYSA-N
XLogP2.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 52513916
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72908264
3-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 39605151
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
2-[2-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 124997560
3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 55688097
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 77090927
3-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51338957

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 166358142) is 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is O=C(Cn1nc(Cl)ccc1=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is FBYHQQLQHAKAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c17-14-7-8-15(22)21(19-14)10-16(23)20-9-1-2-13(20)11-3-5-12(18)6-4-11/h3-8,13H,1-2,9-10H2.
What are the key properties of 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 335.77 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 166358142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).