[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate

C20H19FN2O5 — CID 18091092

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
SMILESCC(OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H19FN2O5/c1-13(18(24)23-11-10-22-20(23)26)28-19(25)16-4-2-3-5-17(16)27-12-14-6-8-15(21)9-7-14/h2-9,13H,10-12H2,1H3,(H,22,26)
InChIKeyORIFPWFFONODPG-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.50
Rot. Bonds6

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 18091092) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
PubChem CID18091092
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
SMILESCC(OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H19FN2O5/c1-13(18(24)23-11-10-22-20(23)26)28-19(25)16-4-2-3-5-17(16)27-12-14-6-8-15(21)9-7-14/h2-9,13H,10-12H2,1H3,(H,22,26)
InChIKeyORIFPWFFONODPG-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate (CID 18091092) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate is CC(OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is ORIFPWFFONODPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-13(18(24)23-11-10-22-20(23)26)28-19(25)16-4-2-3-5-17(16)27-12-14-6-8-15(21)9-7-14/h2-9,13H,10-12H2,1H3,(H,22,26).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 386.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 18091092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).