5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

C20H13FN2O3 — CID 57320042

IUPAC5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc(F)cc3)cc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C20H13FN2O3/c21-14-3-5-15(6-4-14)26-16-7-8-17-18(10-16)20(25)23(19(17)24)12-13-2-1-9-22-11-13/h1-11H,12H2
InChIKeyPYQDPMBYQBNWOP-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.81
Rot. Bonds4

About 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione (PubChem CID 57320042) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
PubChem CID57320042
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc(F)cc3)cc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C20H13FN2O3/c21-14-3-5-15(6-4-14)26-16-7-8-17-18(10-16)20(25)23(19(17)24)12-13-2-1-9-22-11-13/h1-11H,12H2
InChIKeyPYQDPMBYQBNWOP-UHFFFAOYSA-N
XLogP3.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione (CID 57320042) is 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is O=C1c2ccc(Oc3ccc(F)cc3)cc2C(=O)N1Cc1cccnc1.
What is the InChIKey of 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The InChIKey is PYQDPMBYQBNWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-14-3-5-15(6-4-14)26-16-7-8-17-18(10-16)20(25)23(19(17)24)12-13-2-1-9-22-11-13/h1-11H,12H2.
What are the key properties of 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione has a molecular weight of 348.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 57320042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).