ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate

C13H13FN2O4 — CID 101045340

IUPACethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)N1C(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-2-20-12(18)10(14)16-11(17)9(15-13(16)19)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,15,19)
InChIKeyDJIBJKDLMLEFPR-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.14
Rot. Bonds4

About ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate

ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate (PubChem CID 101045340) has the molecular formula C13H13FN2O4 and a molecular weight of 280.26 g/mol. Its IUPAC name is ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate
PubChem CID101045340
Molecular FormulaC13H13FN2O4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Nameethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)N1C(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-2-20-12(18)10(14)16-11(17)9(15-13(16)19)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,15,19)
InChIKeyDJIBJKDLMLEFPR-UHFFFAOYSA-N
XLogP1.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate
CID 11440384
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148105
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
ethyl 3-ethyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6613464
butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 84572142
ethyl (6S)-3-butyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 92970738
1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione
CID 64886696
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64887461
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate (CID 101045340) is ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate is CCOC(=O)C(F)N1C(=O)NC(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate?
The InChIKey is DJIBJKDLMLEFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-2-20-12(18)10(14)16-11(17)9(15-13(16)19)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,15,19).
What are the key properties of ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate?
ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate has a molecular weight of 280.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate is sourced from PubChem (CID 101045340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).