1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione

C24H25FN2O5 — CID 110542933

IUPAC1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C(c3ccc(F)cc3)=C(N3CC(C)OC(C)C3)C2=O)c1
InChIInChI=1S/C24H25FN2O5/c1-14-12-26(13-15(2)32-14)22-21(16-5-7-17(25)8-6-16)23(28)27(24(22)29)18-9-19(30-3)11-20(10-18)31-4/h5-11,14-15H,12-13H2,1-4H3
InChIKeyAJZCYTCCCPIMDY-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.24
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione

1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110542933) has the molecular formula C24H25FN2O5 and a molecular weight of 440.47 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110542933
Molecular FormulaC24H25FN2O5
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C(c3ccc(F)cc3)=C(N3CC(C)OC(C)C3)C2=O)c1
InChIInChI=1S/C24H25FN2O5/c1-14-12-26(13-15(2)32-14)22-21(16-5-7-17(25)8-6-16)23(28)27(24(22)29)18-9-19(30-3)11-20(10-18)31-4/h5-11,14-15H,12-13H2,1-4H3
InChIKeyAJZCYTCCCPIMDY-UHFFFAOYSA-N
XLogP3.24
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592
1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545624
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575860
1-(3-chloro-4-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557941
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547241
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557364
1-(4-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545015
1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110548110
1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561479
1-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573879
1-(3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544773

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110542933) is 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione is COc1cc(OC)cc(N2C(=O)C(c3ccc(F)cc3)=C(N3CC(C)OC(C)C3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is AJZCYTCCCPIMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5/c1-14-12-26(13-15(2)32-14)22-21(16-5-7-17(25)8-6-16)23(28)27(24(22)29)18-9-19(30-3)11-20(10-18)31-4/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 440.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110542933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).