5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione

C22H23FN2O4 — CID 22397082

IUPAC5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C22H23FN2O4/c23-17-4-2-16(3-5-17)15-29-18-6-7-19-20(14-18)22(27)25(21(19)26)9-1-8-24-10-12-28-13-11-24/h2-7,14H,1,8-13,15H2
InChIKeyVVUWTRRMEFSYPQ-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.72
Rot. Bonds7

About 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione

5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione (PubChem CID 22397082) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione
PubChem CID22397082
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C22H23FN2O4/c23-17-4-2-16(3-5-17)15-29-18-6-7-19-20(14-18)22(27)25(21(19)26)9-1-8-24-10-12-28-13-11-24/h2-7,14H,1,8-13,15H2
InChIKeyVVUWTRRMEFSYPQ-UHFFFAOYSA-N
XLogP2.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)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 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione (CID 22397082) is 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione is O=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CCCN1CCOCC1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione?
The InChIKey is VVUWTRRMEFSYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-17-4-2-16(3-5-17)15-29-18-6-7-19-20(14-18)22(27)25(21(19)26)9-1-8-24-10-12-28-13-11-24/h2-7,14H,1,8-13,15H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione?
5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione has a molecular weight of 398.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 22397082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).