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

C17H19FN2O3 — CID 167776034

IUPAC1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C(CCN1C(=O)CN(C2CCCC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3/c18-13-7-5-12(6-8-13)15(21)9-10-19-16(22)11-20(17(19)23)14-3-1-2-4-14/h5-8,14H,1-4,9-11H2
InChIKeyCCMJZMRWAWCDHI-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.61
Rot. Bonds5

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

1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 167776034) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID167776034
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C(CCN1C(=O)CN(C2CCCC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3/c18-13-7-5-12(6-8-13)15(21)9-10-19-16(22)11-20(17(19)23)14-3-1-2-4-14/h5-8,14H,1-4,9-11H2
InChIKeyCCMJZMRWAWCDHI-UHFFFAOYSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.61
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

1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one
CID 95463875
2-[3-(4-fluorophenyl)-3-oxopropyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855659
1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
CID 143425472
1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456
methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate
CID 124559726
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 87022462
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione
CID 62023141
4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione
CID 66062553
1-cyclopentyl-3-(methoxymethyl)imidazolidine-2,4-dione
CID 71972019
1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 70754899

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione (CID 167776034) is 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione is O=C(CCN1C(=O)CN(C2CCCC2)C1=O)c1ccc(F)cc1.
What is the InChIKey of 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is CCMJZMRWAWCDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-13-7-5-12(6-8-13)15(21)9-10-19-16(22)11-20(17(19)23)14-3-1-2-4-14/h5-8,14H,1-4,9-11H2.
What are the key properties of 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione?
1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 318.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167776034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).