3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione

C15H17FN2O3 — CID 62023141

IUPAC3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H17FN2O3/c1-2-3-12-14(20)18(15(21)17-12)9-8-13(19)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,21)
InChIKeyRQBTUBHOSDWMIF-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.12
Rot. Bonds6

About 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione

3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione (PubChem CID 62023141) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione
PubChem CID62023141
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H17FN2O3/c1-2-3-12-14(20)18(15(21)17-12)9-8-13(19)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,21)
InChIKeyRQBTUBHOSDWMIF-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione (CID 62023141) is 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is RQBTUBHOSDWMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-3-12-14(20)18(15(21)17-12)9-8-13(19)10-4-6-11(16)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,17,21).
What are the key properties of 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione?
3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 292.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 62023141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).