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

C25H25F3N2O3 — CID 110549816

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C
InChIInChI=1S/C25H25F3N2O3/c1-14-8-9-18(10-15(14)2)21-22(29-12-16(3)33-17(4)13-29)24(32)30(23(21)31)20-7-5-6-19(11-20)25(26,27)28/h5-11,16-17H,12-13H2,1-4H3
InChIKeyKRARYWYVQDSJDI-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.72
Rot. Bonds3

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

3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 110549816) 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-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID110549816
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C
InChIInChI=1S/C25H25F3N2O3/c1-14-8-9-18(10-15(14)2)21-22(29-12-16(3)33-17(4)13-29)24(32)30(23(21)31)20-7-5-6-19(11-20)25(26,27)28/h5-11,16-17H,12-13H2,1-4H3
InChIKeyKRARYWYVQDSJDI-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-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110580475
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110550636
1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560400
1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574026
3-(3,4-dimethylphenyl)-4-ethylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110549823
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547241
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110550469
1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561986
1-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573879
1-(3-chloro-4-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557941

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 110549816) is 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is Cc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is KRARYWYVQDSJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c1-14-8-9-18(10-15(14)2)21-22(29-12-16(3)33-17(4)13-29)24(32)30(23(21)31)20-7-5-6-19(11-20)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-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(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-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110549816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).