[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C17H19FN2O4 — CID 8661406

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCNC1=O
InChIInChI=1S/C17H19FN2O4/c18-13-6-2-1-5-12(13)17(7-3-4-8-17)15(22)24-11-14(21)20-10-9-19-16(20)23/h1-2,5-6H,3-4,7-11H2,(H,19,23)
InChIKeyQRMCFRLAKXQNMZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.73
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8661406) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8661406
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCNC1=O
InChIInChI=1S/C17H19FN2O4/c18-13-6-2-1-5-12(13)17(7-3-4-8-17)15(22)24-11-14(21)20-10-9-19-16(20)23/h1-2,5-6H,3-4,7-11H2,(H,19,23)
InChIKeyQRMCFRLAKXQNMZ-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 8661406) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is QRMCFRLAKXQNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-13-6-2-1-5-12(13)17(7-3-4-8-17)15(22)24-11-14(21)20-10-9-19-16(20)23/h1-2,5-6H,3-4,7-11H2,(H,19,23).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8661406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).