3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione

C23H24FN3O3 — CID 110594910

IUPAC3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Nc2ccc(F)cc2)=C(c2ccccc2)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C23H24FN3O3/c24-18-7-9-19(10-8-18)25-21-20(17-5-2-1-3-6-17)22(28)27(23(21)29)12-4-11-26-13-15-30-16-14-26/h1-3,5-10,25H,4,11-16H2
InChIKeyROOCDSKBRQGRLA-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.74
Rot. Bonds7

About 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione

3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110594910) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
PubChem CID110594910
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Nc2ccc(F)cc2)=C(c2ccccc2)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C23H24FN3O3/c24-18-7-9-19(10-8-18)25-21-20(17-5-2-1-3-6-17)22(28)27(23(21)29)12-4-11-26-13-15-30-16-14-26/h1-3,5-10,25H,4,11-16H2
InChIKeyROOCDSKBRQGRLA-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110586607
3-(3,5-dimethylanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594911
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110597949
3-(1,3-benzodioxol-5-ylamino)-4-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110544437
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110586609
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110599596
3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110544438
3-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110593177
3-(4-fluoroanilino)-4-phenyl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110594670
3-(4-chlorophenyl)-4-(3,4-dimethylanilino)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110599598
3-(3-chloro-4-methoxyanilino)-4-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110586590
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110599581

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione (CID 110594910) is 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione is O=C1C(Nc2ccc(F)cc2)=C(c2ccccc2)C(=O)N1CCCN1CCOCC1.
What is the InChIKey of 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is ROOCDSKBRQGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-18-7-9-19(10-8-18)25-21-20(17-5-2-1-3-6-17)22(28)27(23(21)29)12-4-11-26-13-15-30-16-14-26/h1-3,5-10,25H,4,11-16H2.
What are the key properties of 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione?
3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 409.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).