[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C17H19FN2O4 — CID 7866208

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCNC1=O
InChIInChI=1S/C17H19FN2O4/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)15(22)24-11-14(21)20-10-9-19-16(20)23/h3-6H,1-2,7-11H2,(H,19,23)
InChIKeyDFKLQVNKPKDPFW-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.73
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 7866208) 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-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID7866208
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCNC1=O
InChIInChI=1S/C17H19FN2O4/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)15(22)24-11-14(21)20-10-9-19-16(20)23/h3-6H,1-2,7-11H2,(H,19,23)
InChIKeyDFKLQVNKPKDPFW-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-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 7866208) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is DFKLQVNKPKDPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)15(22)24-11-14(21)20-10-9-19-16(20)23/h3-6H,1-2,7-11H2,(H,19,23).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-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-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 7866208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).