1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C22H21FN2O5 — CID 110544926

IUPAC1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3ccc(F)cc3)=C(N3CCOCC3)C2=O)c1
InChIInChI=1S/C22H21FN2O5/c1-28-16-7-8-18(29-2)17(13-16)25-21(26)19(14-3-5-15(23)6-4-14)20(22(25)27)24-9-11-30-12-10-24/h3-8,13H,9-12H2,1-2H3
InChIKeyKLJWSXPSEBEMRF-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.46
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110544926) has the molecular formula C22H21FN2O5 and a molecular weight of 412.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110544926
Molecular FormulaC22H21FN2O5
Molecular Weight412.42 g/mol
Exact Mass412.14
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C(c3ccc(F)cc3)=C(N3CCOCC3)C2=O)c1
InChIInChI=1S/C22H21FN2O5/c1-28-16-7-8-18(29-2)17(13-16)25-21(26)19(14-3-5-15(23)6-4-14)20(22(25)27)24-9-11-30-12-10-24/h3-8,13H,9-12H2,1-2H3
InChIKeyKLJWSXPSEBEMRF-UHFFFAOYSA-N
XLogP2.46
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110571142
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557364
3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110545726
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110545042
3-(4-methoxyphenyl)-1-(2-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558108
1-(4-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110545675
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110544608
1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558240
1-(2,5-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573656
3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110556352
1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545624

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110544926) is 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione is COc1ccc(OC)c(N2C(=O)C(c3ccc(F)cc3)=C(N3CCOCC3)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is KLJWSXPSEBEMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5/c1-28-16-7-8-18(29-2)17(13-16)25-21(26)19(14-3-5-15(23)6-4-14)20(22(25)27)24-9-11-30-12-10-24/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 412.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110544926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).