3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione

C21H24Cl2N2O4 — CID 110567937

IUPAC3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(CC3CCCO3)C2=O)CC(C)O1
InChIInChI=1S/C21H24Cl2N2O4/c1-12-9-24(10-13(2)29-12)19-18(16-6-5-14(22)8-17(16)23)20(26)25(21(19)27)11-15-4-3-7-28-15/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3
InChIKeyJMVVQIPZQASJDB-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.36
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110567937) has the molecular formula C21H24Cl2N2O4 and a molecular weight of 439.34 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
PubChem CID110567937
Molecular FormulaC21H24Cl2N2O4
Molecular Weight439.34 g/mol
Exact Mass438.11
IUPAC Name3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(CC3CCCO3)C2=O)CC(C)O1
InChIInChI=1S/C21H24Cl2N2O4/c1-12-9-24(10-13(2)29-12)19-18(16-6-5-14(22)8-17(16)23)20(26)25(21(19)27)11-15-4-3-7-28-15/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3
InChIKeyJMVVQIPZQASJDB-UHFFFAOYSA-N
XLogP3.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110567950
3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110567991
3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110568013
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559
1-cycloheptyl-3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568334
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569260
N-[4-[4-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-1-(oxolan-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562378
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1283430
3-(4-ethoxyphenyl)-1-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546322
1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565347
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568143

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione (CID 110567937) is 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione is CC1CN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(CC3CCCO3)C2=O)CC(C)O1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is JMVVQIPZQASJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4/c1-12-9-24(10-13(2)29-12)19-18(16-6-5-14(22)8-17(16)23)20(26)25(21(19)27)11-15-4-3-7-28-15/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 439.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110567937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).