[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate

C13H13FN2O5 — CID 27704960

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1F
InChIInChI=1S/C13H13FN2O5/c1-20-10-3-2-8(6-9(10)14)12(18)21-7-11(17)16-5-4-15-13(16)19/h2-3,6H,4-5,7H2,1H3,(H,15,19)
InChIKeyDVHZBVMYWRKHTD-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.54
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 27704960) has the molecular formula C13H13FN2O5 and a molecular weight of 296.25 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate
PubChem CID27704960
Molecular FormulaC13H13FN2O5
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1F
InChIInChI=1S/C13H13FN2O5/c1-20-10-3-2-8(6-9(10)14)12(18)21-7-11(17)16-5-4-15-13(16)19/h2-3,6H,4-5,7H2,1H3,(H,15,19)
InChIKeyDVHZBVMYWRKHTD-UHFFFAOYSA-N
XLogP0.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate (CID 27704960) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1F.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is DVHZBVMYWRKHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O5/c1-20-10-3-2-8(6-9(10)14)12(18)21-7-11(17)16-5-4-15-13(16)19/h2-3,6H,4-5,7H2,1H3,(H,15,19).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 296.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 27704960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).