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

C24H17Cl2FN2O2 — CID 110568670

IUPAC3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(Cl)cc2Cl)C(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C24H17Cl2FN2O2/c1-2-28(17-6-4-3-5-7-17)22-21(19-13-8-15(25)14-20(19)26)23(30)29(24(22)31)18-11-9-16(27)10-12-18/h3-14H,2H2,1H3
InChIKeyABUKQZKVYQAANY-UHFFFAOYSA-N
MW455.32 g/mol
LogP5.94
Rot. Bonds5

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

3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110568670) has the molecular formula C24H17Cl2FN2O2 and a molecular weight of 455.32 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110568670
Molecular FormulaC24H17Cl2FN2O2
Molecular Weight455.32 g/mol
Exact Mass454.07
IUPAC Name3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(Cl)cc2Cl)C(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C24H17Cl2FN2O2/c1-2-28(17-6-4-3-5-7-17)22-21(19-13-8-15(25)14-20(19)26)23(30)29(24(22)31)18-11-9-16(27)10-12-18/h3-14H,2H2,1H3
InChIKeyABUKQZKVYQAANY-UHFFFAOYSA-N
XLogP5.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.32
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657
3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110568709
3-(N-ethylanilino)-1-(3-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544573
1-[3-(dimethylamino)phenyl]-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545904
1-(3,4-dimethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545512
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110567438
1-(3,4-difluorophenyl)-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555407
1-(3-ethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543002
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110579665
1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110571477
3-(N-ethylanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110545874

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione (CID 110568670) is 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(Cl)cc2Cl)C(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is ABUKQZKVYQAANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O2/c1-2-28(17-6-4-3-5-7-17)22-21(19-13-8-15(25)14-20(19)26)23(30)29(24(22)31)18-11-9-16(27)10-12-18/h3-14H,2H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 455.32 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110568670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).