methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate

C13H14F2N2O3 — CID 83255843

IUPACmethyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)CNC1c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O3/c1-20-12(19)4-5-17-11(18)7-16-13(17)9-3-2-8(14)6-10(9)15/h2-3,6,13,16H,4-5,7H2,1H3
InChIKeyVEIGLLZRMVAYOE-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.96
Rot. Bonds4

About methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate

methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate (PubChem CID 83255843) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate
PubChem CID83255843
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Namemethyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)CNC1c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O3/c1-20-12(19)4-5-17-11(18)7-16-13(17)9-3-2-8(14)6-10(9)15/h2-3,6,13,16H,4-5,7H2,1H3
InChIKeyVEIGLLZRMVAYOE-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate (CID 83255843) is methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate is COC(=O)CCN1C(=O)CNC1c1ccc(F)cc1F.
What is the InChIKey of methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate?
The InChIKey is VEIGLLZRMVAYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-20-12(19)4-5-17-11(18)7-16-13(17)9-3-2-8(14)6-10(9)15/h2-3,6,13,16H,4-5,7H2,1H3.
What are the key properties of methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate?
methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate has a molecular weight of 284.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2,4-difluorophenyl)-5-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 83255843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).