3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C25H25F3N2O3 — CID 110580475

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c(C)c1
InChIInChI=1S/C25H25F3N2O3/c1-14-5-10-20(15(2)11-14)21-22(29-12-16(3)33-17(4)13-29)24(32)30(23(21)31)19-8-6-18(7-9-19)25(26,27)28/h5-11,16-17H,12-13H2,1-4H3
InChIKeyIKYCBMWSDQFMDI-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.72
Rot. Bonds3

About 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 110580475) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID110580475
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c(C)c1
InChIInChI=1S/C25H25F3N2O3/c1-14-5-10-20(15(2)11-14)21-22(29-12-16(3)33-17(4)13-29)24(32)30(23(21)31)19-8-6-18(7-9-19)25(26,27)28/h5-11,16-17H,12-13H2,1-4H3
InChIKeyIKYCBMWSDQFMDI-UHFFFAOYSA-N
XLogP4.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110580328
3-(2,6-dimethylmorpholin-4-yl)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110579485
1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574026
1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110579903
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110577820
1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110579907
1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]pyrrole-2,5-dione
CID 110579916
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579604
3-(2,4-dimethylphenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110579448
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110549816
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110580610

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 110580475) is 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione is Cc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c(C)c1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is IKYCBMWSDQFMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c1-14-5-10-20(15(2)11-14)21-22(29-12-16(3)33-17(4)13-29)24(32)30(23(21)31)19-8-6-18(7-9-19)25(26,27)28/h5-11,16-17H,12-13H2,1-4H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 458.48 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110580475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).