3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione

C17H21FN2O3 — CID 100678163

IUPAC3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N([C@H]2CCC[C@H]2c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H21FN2O3/c1-23-10-9-19-11-16(21)20(17(19)22)15-4-2-3-14(15)12-5-7-13(18)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3/t14-,15-/m0/s1
InChIKeyZBGKTENSDJNQIE-GJZGRUSLSA-N
MW320.36 g/mol
LogP2.37
Rot. Bonds5

About 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione

3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 100678163) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID100678163
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N([C@H]2CCC[C@H]2c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H21FN2O3/c1-23-10-9-19-11-16(21)20(17(19)22)15-4-2-3-14(15)12-5-7-13(18)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3/t14-,15-/m0/s1
InChIKeyZBGKTENSDJNQIE-GJZGRUSLSA-N
XLogP2.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-6-(2-methoxyethyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 16676079
3-[(R)-(4-fluorophenyl)-phenylmethyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 100638200
2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 119033802
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
CID 71041197
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
6-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
CID 79296050
(3aR,4S,6aS)-4-(3-fluorophenyl)-3-(4-fluorophenyl)-1-(2-methoxyethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 110148452
ethyl 6-(4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17398886
2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63379341
3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 79282153
5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83243144
4-(4-fluorophenyl)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 77324450

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione (CID 100678163) is 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1CC(=O)N([C@H]2CCC[C@H]2c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is ZBGKTENSDJNQIE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-23-10-9-19-11-16(21)20(17(19)22)15-4-2-3-14(15)12-5-7-13(18)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 320.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 100678163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).