2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione

C23H21FN2O3 — CID 122672767

IUPAC2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCC2(CC1)CCN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C23H21FN2O3/c24-15-5-7-16(8-6-15)25-14-13-23(22(25)29)11-9-17(10-12-23)26-20(27)18-3-1-2-4-19(18)21(26)28/h1-8,17H,9-14H2
InChIKeyBUQBDJACTHLOLG-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.79
Rot. Bonds2

About 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione

2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione (PubChem CID 122672767) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione
PubChem CID122672767
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCC2(CC1)CCN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C23H21FN2O3/c24-15-5-7-16(8-6-15)25-14-13-23(22(25)29)11-9-17(10-12-23)26-20(27)18-3-1-2-4-19(18)21(26)28/h1-8,17H,9-14H2
InChIKeyBUQBDJACTHLOLG-UHFFFAOYSA-N
XLogP3.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione (CID 122672767) is 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCC2(CC1)CCN(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione?
The InChIKey is BUQBDJACTHLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-15-5-7-16(8-6-15)25-14-13-23(22(25)29)11-9-17(10-12-23)26-20(27)18-3-1-2-4-19(18)21(26)28/h1-8,17H,9-14H2.
What are the key properties of 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione?
2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione has a molecular weight of 392.43 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione is sourced from PubChem (CID 122672767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).