N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide

C20H21FN2O3 — CID 26397202

IUPACN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN2O3/c21-16-8-6-15(7-9-16)10-11-23-13-17(12-20(23)25)22-19(24)14-26-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,22,24)/t17-/m1/s1
InChIKeyLVWDMDWAISQTPT-QGZVFWFLSA-N
MW356.40 g/mol
LogP2.16
Rot. Bonds7

About N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide

N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide (PubChem CID 26397202) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
PubChem CID26397202
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN2O3/c21-16-8-6-15(7-9-16)10-11-23-13-17(12-20(23)25)22-19(24)14-26-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,22,24)/t17-/m1/s1
InChIKeyLVWDMDWAISQTPT-QGZVFWFLSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42519689
2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 42392564
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide
CID 25449003
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119334857
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
CID 42212899

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide (CID 26397202) is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide?
The InChIKey is LVWDMDWAISQTPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-16-8-6-15(7-9-16)10-11-23-13-17(12-20(23)25)22-19(24)14-26-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide?
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide has a molecular weight of 356.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 26397202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).