methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate

C11H11FN2O3 — CID 59456871

IUPACmethyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCNC2=O)c(F)c1
InChIInChI=1S/C11H11FN2O3/c1-17-10(15)7-2-3-9(8(12)6-7)14-5-4-13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,16)
InChIKeyROPRIFLKCBEZDO-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.14
Rot. Bonds2

About methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate

methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 59456871) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID59456871
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Namemethyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCNC2=O)c(F)c1
InChIInChI=1S/C11H11FN2O3/c1-17-10(15)7-2-3-9(8(12)6-7)14-5-4-13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,16)
InChIKeyROPRIFLKCBEZDO-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate (CID 59456871) is methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate is COC(=O)c1ccc(N2CCNC2=O)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is ROPRIFLKCBEZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-17-10(15)7-2-3-9(8(12)6-7)14-5-4-13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,16).
What are the key properties of methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate?
methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 238.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 59456871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).