1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

C20H17FN2O3 — CID 110560474

IUPAC1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3/c21-15-6-8-16(9-7-15)23-19(24)17(14-4-2-1-3-5-14)18(20(23)25)22-10-12-26-13-11-22/h1-9H,10-13H2
InChIKeyWXCOWKGFKOINHG-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.44
Rot. Bonds3

About 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (PubChem CID 110560474) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
PubChem CID110560474
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3/c21-15-6-8-16(9-7-15)23-19(24)17(14-4-2-1-3-5-14)18(20(23)25)22-10-12-26-13-11-22/h1-9H,10-13H2
InChIKeyWXCOWKGFKOINHG-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.44
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 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (CID 110560474) is 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The InChIKey is WXCOWKGFKOINHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-15-6-8-16(9-7-15)23-19(24)17(14-4-2-1-3-5-14)18(20(23)25)22-10-12-26-13-11-22/h1-9H,10-13H2.
What are the key properties of 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione has a molecular weight of 352.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).