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

C24H25FN2O3 — CID 110579485

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccccc3F)C2=O)c(C)c1
InChIInChI=1S/C24H25FN2O3/c1-14-9-10-18(15(2)11-14)21-22(26-12-16(3)30-17(4)13-26)24(29)27(23(21)28)20-8-6-5-7-19(20)25/h5-11,16-17H,12-13H2,1-4H3
InChIKeyJOBZGXRQLMULMP-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.84
Rot. Bonds3

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

3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110579485) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
PubChem CID110579485
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccccc3F)C2=O)c(C)c1
InChIInChI=1S/C24H25FN2O3/c1-14-9-10-18(15(2)11-14)21-22(26-12-16(3)30-17(4)13-26)24(29)27(23(21)28)20-8-6-5-7-19(20)25/h5-11,16-17H,12-13H2,1-4H3
InChIKeyJOBZGXRQLMULMP-UHFFFAOYSA-N
XLogP3.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.84
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-(2,4-dimethylphenyl)-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110579487
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110580475
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579604
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110580328
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110579500
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110577820
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578849
3-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575824
3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110567672
3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574196
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110580567
3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110580266

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione (CID 110579485) is 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3ccccc3F)C2=O)c(C)c1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is JOBZGXRQLMULMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-14-9-10-18(15(2)11-14)21-22(26-12-16(3)30-17(4)13-26)24(29)27(23(21)28)20-8-6-5-7-19(20)25/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-(2-fluorophenyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 408.47 g/mol, XLogP of 3.84, 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-(2-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110579485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).