[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C20H20FNO3 — CID 7491563

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESC[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-14(16-8-10-18(21)11-9-16)25-20(24)17-6-4-15(5-7-17)13-22-12-2-3-19(22)23/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyKJXDYFZKSGYMIM-CQSZACIVSA-N
MW341.38 g/mol
LogP3.87
Rot. Bonds5

About [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 7491563) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID7491563
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESC[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-14(16-8-10-18(21)11-9-16)25-20(24)17-6-4-15(5-7-17)13-22-12-2-3-19(22)23/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyKJXDYFZKSGYMIM-CQSZACIVSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 86906530
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55380243
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
N-ethyl-N-(4-fluorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198675
[(1R)-1-(4-fluorophenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 7767542
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7735914
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55422772
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7735924
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 46818787
[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30811947
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119526669

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 7491563) is [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is KJXDYFZKSGYMIM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-14(16-8-10-18(21)11-9-16)25-20(24)17-6-4-15(5-7-17)13-22-12-2-3-19(22)23/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 341.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 7491563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).