1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one

C17H22ClFN2O2 — CID 84597909

IUPAC1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCC(O)C1CCCN(C2CCN(c3ccc(F)c(Cl)c3)C2=O)C1
InChIInChI=1S/C17H22ClFN2O2/c1-11(22)12-3-2-7-20(10-12)16-6-8-21(17(16)23)13-4-5-15(19)14(18)9-13/h4-5,9,11-12,16,22H,2-3,6-8,10H2,1H3
InChIKeyWMLKZBPYNRHQGQ-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.68
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one

1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 84597909) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID84597909
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCC(O)C1CCCN(C2CCN(c3ccc(F)c(Cl)c3)C2=O)C1
InChIInChI=1S/C17H22ClFN2O2/c1-11(22)12-3-2-7-20(10-12)16-6-8-21(17(16)23)13-4-5-15(19)14(18)9-13/h4-5,9,11-12,16,22H,2-3,6-8,10H2,1H3
InChIKeyWMLKZBPYNRHQGQ-UHFFFAOYSA-N
XLogP2.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020322
1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020445
1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
CID 110020111
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110020239
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
(3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
CID 96674125
7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 126812722
1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
CID 111380901
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 24718908
2-(3-chloro-4-fluorophenyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916403
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64962916
4-[[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009226

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one (CID 84597909) is 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one is CC(O)C1CCCN(C2CCN(c3ccc(F)c(Cl)c3)C2=O)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is WMLKZBPYNRHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-11(22)12-3-2-7-20(10-12)16-6-8-21(17(16)23)13-4-5-15(19)14(18)9-13/h4-5,9,11-12,16,22H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one?
1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 340.83 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 84597909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).