1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one

C19H21FN2O2 — CID 59551991

IUPAC1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](c1ccccn1)[C@H](OCCF)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-11-14-24-19(15-7-2-1-3-8-15)18(16-9-4-5-12-21-16)22-13-6-10-17(22)23/h1-5,7-9,12,18-19H,6,10-11,13-14H2/t18-,19+/m0/s1
InChIKeyVEGKQDKNUMCWTK-RBUKOAKNSA-N
MW328.39 g/mol
LogP3.47
Rot. Bonds7

About 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one

1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one (PubChem CID 59551991) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one
PubChem CID59551991
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](c1ccccn1)[C@H](OCCF)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c20-11-14-24-19(15-7-2-1-3-8-15)18(16-9-4-5-12-21-16)22-13-6-10-17(22)23/h1-5,7-9,12,18-19H,6,10-11,13-14H2/t18-,19+/m0/s1
InChIKeyVEGKQDKNUMCWTK-RBUKOAKNSA-N
XLogP3.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Doxylamine
CID 3162
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(pyridin-4-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
CID 24888772
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(pyridin-3-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
CID 46884471
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(2-fluoropyridin-4-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
CID 46884467
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(2-methylpyridin-4-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
CID 46884468
[4-(2-Benzhydryloxy-acetyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10433384
(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 69086317
Tead-IN-3
CID 162623428
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
CID 2998486
(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 5389384
N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-1-yl]acetamide
CID 6619248
(3S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 44455602

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one (CID 59551991) is 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one is O=C1CCCN1[C@@H](c1ccccn1)[C@H](OCCF)c1ccccc1.
What is the InChIKey of 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one?
The InChIKey is VEGKQDKNUMCWTK-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-11-14-24-19(15-7-2-1-3-8-15)18(16-9-4-5-12-21-16)22-13-6-10-17(22)23/h1-5,7-9,12,18-19H,6,10-11,13-14H2/t18-,19+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one?
1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one has a molecular weight of 328.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(2-fluoroethoxy)-2-phenyl-1-pyridin-2-ylethyl]pyrrolidin-2-one is sourced from PubChem (CID 59551991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).