3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione

C25H21ClN2O2 — CID 110600121

IUPAC3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C)C2=O)c1
InChIInChI=1S/C25H21ClN2O2/c1-15-12-16(2)14-20(13-15)27-23-22(18-8-10-19(26)11-9-18)24(29)28(25(23)30)21-7-5-4-6-17(21)3/h4-14,27H,1-3H3
InChIKeyOJWMTAJYEOAJMU-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.66
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 110600121) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID110600121
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC Name3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C)C2=O)c1
InChIInChI=1S/C25H21ClN2O2/c1-15-12-16(2)14-20(13-15)27-23-22(18-8-10-19(26)11-9-18)24(29)28(25(23)30)21-7-5-4-6-17(21)3/h4-14,27H,1-3H3
InChIKeyOJWMTAJYEOAJMU-UHFFFAOYSA-N
XLogP5.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)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-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599736
3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110600125
3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595207
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852
3-(4-chlorophenyl)-4-(3,4-dimethylanilino)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110599668
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587449
3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599750
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110599000
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110600066
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110600008
3-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110600057
3-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110599660

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione (CID 110600121) is 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione is Cc1cc(C)cc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C)C2=O)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is OJWMTAJYEOAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-15-12-16(2)14-20(13-15)27-23-22(18-8-10-19(26)11-9-18)24(29)28(25(23)30)21-7-5-4-6-17(21)3/h4-14,27H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 416.91 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110600121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).