2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione

C20H15FN2O5 — CID 25014967

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCc4cccc(F)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H15FN2O5/c21-12-4-1-3-11(9-12)10-28-15-6-2-5-13-17(15)20(27)23(19(13)26)14-7-8-16(24)22-18(14)25/h1-6,9,14H,7-8,10H2,(H,22,24,25)
InChIKeyVFWYLHBQFVNUCZ-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.81
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione (PubChem CID 25014967) has the molecular formula C20H15FN2O5 and a molecular weight of 382.35 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione
PubChem CID25014967
Molecular FormulaC20H15FN2O5
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCc4cccc(F)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H15FN2O5/c21-12-4-1-3-11(9-12)10-28-15-6-2-5-13-17(15)20(27)23(19(13)26)14-7-8-16(24)22-18(14)25/h1-6,9,14H,7-8,10H2,(H,22,24,25)
InChIKeyVFWYLHBQFVNUCZ-UHFFFAOYSA-N
XLogP1.81
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione (CID 25014967) is 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(OCc4cccc(F)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione?
The InChIKey is VFWYLHBQFVNUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5/c21-12-4-1-3-11(9-12)10-28-15-6-2-5-13-17(15)20(27)23(19(13)26)14-7-8-16(24)22-18(14)25/h1-6,9,14H,7-8,10H2,(H,22,24,25).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione has a molecular weight of 382.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[(3-fluorophenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 25014967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).