1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione

C26H23FN2O2 — CID 110587385

IUPAC1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C26H23FN2O2/c1-4-18-6-12-21(13-7-18)28-24-23(19-8-10-20(27)11-9-19)25(30)29(26(24)31)22-14-5-16(2)15-17(22)3/h5-15,28H,4H2,1-3H3
InChIKeyLAYOSPQETZTMEM-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.40
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione

1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110587385) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110587385
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C26H23FN2O2/c1-4-18-6-12-21(13-7-18)28-24-23(19-8-10-20(27)11-9-19)25(30)29(26(24)31)22-14-5-16(2)15-17(22)3/h5-15,28H,4H2,1-3H3
InChIKeyLAYOSPQETZTMEM-UHFFFAOYSA-N
XLogP5.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3-(4-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587374
1-(2,4-dimethylphenyl)-3-(3-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587370
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598509
1-(3-chloro-2-methylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586736
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592247
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110596205
1-(2,4-dimethylphenyl)-3-(4-ethoxyphenyl)-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 110588381
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593731
1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110589775
1-(4-ethylphenyl)-3-(4-fluoroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593398
N-[4-[4-(4-ethylanilino)-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596802
1-(2,4-difluorophenyl)-3-(4-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587537

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110587385) is 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione is CCc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is LAYOSPQETZTMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-4-18-6-12-21(13-7-18)28-24-23(19-8-10-20(27)11-9-19)25(30)29(26(24)31)22-14-5-16(2)15-17(22)3/h5-15,28H,4H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 414.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110587385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).