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

C24H26FN3O4 — CID 110597949

IUPAC3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2ccc(F)cc2)C(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C24H26FN3O4/c1-31-20-6-3-2-5-19(20)21-22(26-18-9-7-17(25)8-10-18)24(30)28(23(21)29)12-4-11-27-13-15-32-16-14-27/h2-3,5-10,26H,4,11-16H2,1H3
InChIKeyJSEULRQXCOBCOO-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.75
Rot. Bonds8

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

3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione (PubChem CID 110597949) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
PubChem CID110597949
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Name3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2ccc(F)cc2)C(=O)N(CCCN2CCOCC2)C1=O
InChIInChI=1S/C24H26FN3O4/c1-31-20-6-3-2-5-19(20)21-22(26-18-9-7-17(25)8-10-18)24(30)28(23(21)29)12-4-11-27-13-15-32-16-14-27/h2-3,5-10,26H,4,11-16H2,1H3
InChIKeyJSEULRQXCOBCOO-UHFFFAOYSA-N
XLogP2.75
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoroanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594910
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110586609
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597837
3-(3-chloro-4-methoxyanilino)-4-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110586590
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110586607
3-(2-methoxyphenyl)-1-(3-methoxypropyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110597724
3-chloro-4-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110583839
3-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110593177
3-(1,3-benzodioxol-5-ylamino)-4-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110544437
1-ethyl-3-(2-methoxyphenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110597612
3-(3,5-dimethylanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594911
1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565797

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione (CID 110597949) is 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione is COc1ccccc1C1=C(Nc2ccc(F)cc2)C(=O)N(CCCN2CCOCC2)C1=O.
What is the InChIKey of 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione?
The InChIKey is JSEULRQXCOBCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-31-20-6-3-2-5-19(20)21-22(26-18-9-7-17(25)8-10-18)24(30)28(23(21)29)12-4-11-27-13-15-32-16-14-27/h2-3,5-10,26H,4,11-16H2,1H3.
What are the key properties of 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione?
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione has a molecular weight of 439.49 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110597949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).