ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C13H13FN2O4 — CID 97161621

IUPACethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)N[C@@H](c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-2-20-10(17)7-16-12(18)11(15-13(16)19)8-3-5-9(14)6-4-8/h3-6,11H,2,7H2,1H3,(H,15,19)/t11-/m0/s1
InChIKeyQOAMNHIOLUGUSG-NSHDSACASA-N
MW280.26 g/mol
LogP0.98
Rot. Bonds4

About ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 97161621) has the molecular formula C13H13FN2O4 and a molecular weight of 280.26 g/mol. Its IUPAC name is ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID97161621
Molecular FormulaC13H13FN2O4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Nameethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)N[C@@H](c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H13FN2O4/c1-2-20-10(17)7-16-12(18)11(15-13(16)19)8-3-5-9(14)6-4-8/h3-6,11H,2,7H2,1H3,(H,15,19)/t11-/m0/s1
InChIKeyQOAMNHIOLUGUSG-NSHDSACASA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 84572142
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 137320526
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
ethyl 6-(4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17398886
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029
ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 144617375
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148274
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 82148999
methyl 2-[5-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945837
ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 84571978

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 97161621) is ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)N[C@@H](c2ccc(F)cc2)C1=O.
What is the InChIKey of ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is QOAMNHIOLUGUSG-NSHDSACASA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-2-20-10(17)7-16-12(18)11(15-13(16)19)8-3-5-9(14)6-4-8/h3-6,11H,2,7H2,1H3,(H,15,19)/t11-/m0/s1.
What are the key properties of ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 280.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 97161621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).