[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate

C12H11ClN2O4 — CID 7775668

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O4/c13-9-4-2-1-3-8(9)11(17)19-7-10(16)15-6-5-14-12(15)18/h1-4H,5-7H2,(H,14,18)
InChIKeyOHCUCBXBHQAXHV-UHFFFAOYSA-N
MW282.68 g/mol
LogP1.05
Rot. Bonds3

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate (PubChem CID 7775668) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate
PubChem CID7775668
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O4/c13-9-4-2-1-3-8(9)11(17)19-7-10(16)15-6-5-14-12(15)18/h1-4H,5-7H2,(H,14,18)
InChIKeyOHCUCBXBHQAXHV-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 51.05
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] 2-chlorobenzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate (CID 7775668) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate is O=C(OCC(=O)N1CCNC1=O)c1ccccc1Cl.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate?
The InChIKey is OHCUCBXBHQAXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c13-9-4-2-1-3-8(9)11(17)19-7-10(16)15-6-5-14-12(15)18/h1-4H,5-7H2,(H,14,18).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-chlorobenzoate has a molecular weight of 282.68 g/mol, XLogP of 1.05, 3 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] 2-chlorobenzoate is sourced from PubChem (CID 7775668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).