1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione

C24H24F2N2O4 — CID 110548110

IUPAC1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C24H24F2N2O4/c1-4-31-18-8-5-16(6-9-18)21-22(27-12-14(2)32-15(3)13-27)24(30)28(23(21)29)20-11-17(25)7-10-19(20)26/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeySQXZTACNVWXFGI-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.76
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione

1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione (PubChem CID 110548110) has the molecular formula C24H24F2N2O4 and a molecular weight of 442.46 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
PubChem CID110548110
Molecular FormulaC24H24F2N2O4
Molecular Weight442.46 g/mol
Exact Mass442.17
IUPAC Name1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C24H24F2N2O4/c1-4-31-18-8-5-16(6-9-18)21-22(27-12-14(2)32-15(3)13-27)24(30)28(23(21)29)20-11-17(25)7-10-19(20)26/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeySQXZTACNVWXFGI-UHFFFAOYSA-N
XLogP3.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.76
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-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547241
1-(2,5-difluorophenyl)-3-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548112
3-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573721
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110547916
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)-4-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110546954
1-(2,4-difluorophenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110548085
3-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575824
1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110542933
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
1-(2,4-difluorophenyl)-3-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548089
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione (CID 110548110) is 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione is CCOc1ccc(C2=C(N3CC(C)OC(C)C3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is SQXZTACNVWXFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O4/c1-4-31-18-8-5-16(6-9-18)21-22(27-12-14(2)32-15(3)13-27)24(30)28(23(21)29)20-11-17(25)7-10-19(20)26/h5-11,14-15H,4,12-13H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione?
1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 442.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110548110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).