2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide

C20H21FN2O4 — CID 7563476

IUPAC2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCCOc1ccc(OCC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C20H21FN2O4/c1-2-26-17-6-8-18(9-7-17)27-13-19(24)22-15-11-20(25)23(12-15)16-5-3-4-14(21)10-16/h3-10,15H,2,11-13H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyLBTPTNHFSCMJKH-HNNXBMFYSA-N
MW372.40 g/mol
LogP2.52
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide

2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 7563476) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID7563476
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCCOc1ccc(OCC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C20H21FN2O4/c1-2-26-17-6-8-18(9-7-17)27-13-19(24)22-15-11-20(25)23(12-15)16-5-3-4-14(21)10-16/h3-10,15H,2,11-13H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyLBTPTNHFSCMJKH-HNNXBMFYSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 16822262
2-(2-fluorophenoxy)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822267
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971125
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
ethyl 4-[[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7546926
1-(2-ethoxyphenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564371

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide (CID 7563476) is 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide is CCOc1ccc(OCC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is LBTPTNHFSCMJKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-2-26-17-6-8-18(9-7-17)27-13-19(24)22-15-11-20(25)23(12-15)16-5-3-4-14(21)10-16/h3-10,15H,2,11-13H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7563476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).