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

C14H14F2N2O5 — CID 18091292

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
SMILESCC(OC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H14F2N2O5/c1-8(11(19)18-7-6-17-14(18)21)22-12(20)9-2-4-10(5-3-9)23-13(15)16/h2-5,8,13H,6-7H2,1H3,(H,17,21)
InChIKeyMYADFVQNHVBCMG-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.39
Rot. Bonds5

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

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate (PubChem CID 18091292) has the molecular formula C14H14F2N2O5 and a molecular weight of 328.27 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
PubChem CID18091292
Molecular FormulaC14H14F2N2O5
Molecular Weight328.27 g/mol
Exact Mass328.09
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
SMILESCC(OC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H14F2N2O5/c1-8(11(19)18-7-6-17-14(18)21)22-12(20)9-2-4-10(5-3-9)23-13(15)16/h2-5,8,13H,6-7H2,1H3,(H,17,21)
InChIKeyMYADFVQNHVBCMG-UHFFFAOYSA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 8951879
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(dimethylamino)benzoate
CID 18090949
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate
CID 17396800
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 46617596
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382216
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8854956
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830957
[(2R)-1-amino-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612532
(1-amino-1-oxopropan-2-yl) 4-(difluoromethoxy)benzoate
CID 18076582

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate (CID 18091292) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate is CC(OC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate?
The InChIKey is MYADFVQNHVBCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O5/c1-8(11(19)18-7-6-17-14(18)21)22-12(20)9-2-4-10(5-3-9)23-13(15)16/h2-5,8,13H,6-7H2,1H3,(H,17,21).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate has a molecular weight of 328.27 g/mol, XLogP of 1.39, 5 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] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 18091292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).