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

C25H20Cl2N2O2 — CID 110599709

IUPAC1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione
SMILESCc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(Cl)c3C)C2=O)c1
InChIInChI=1S/C25H20Cl2N2O2/c1-14-7-8-15(2)20(13-14)28-23-22(17-9-11-18(26)12-10-17)24(30)29(25(23)31)21-6-4-5-19(27)16(21)3/h4-13,28H,1-3H3
InChIKeyVCQNHTVEKKBXBB-UHFFFAOYSA-N
MW451.35 g/mol
LogP6.32
Rot. Bonds4

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

1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione (PubChem CID 110599709) has the molecular formula C25H20Cl2N2O2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione
PubChem CID110599709
Molecular FormulaC25H20Cl2N2O2
Molecular Weight451.35 g/mol
Exact Mass450.09
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione
SMILESCc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(Cl)c3C)C2=O)c1
InChIInChI=1S/C25H20Cl2N2O2/c1-14-7-8-15(2)20(13-14)28-23-22(17-9-11-18(26)12-10-17)24(30)29(25(23)31)21-6-4-5-19(27)16(21)3/h4-13,28H,1-3H3
InChIKeyVCQNHTVEKKBXBB-UHFFFAOYSA-N
XLogP6.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 56.32
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

3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110600008
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-methylpyrrole-2,5-dione
CID 110599314
3-(5-chloro-2-methylanilino)-1-(2-chlorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587578
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110599982
3-(2,5-dimethylanilino)-1-(2-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586809
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593346
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2-ethoxyanilino)pyrrole-2,5-dione
CID 110599704
1-(3-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595103
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599808
3-(5-chloro-2-methylanilino)-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585822
1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586729

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione (CID 110599709) is 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione is Cc1ccc(C)c(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(Cl)c3C)C2=O)c1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione?
The InChIKey is VCQNHTVEKKBXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O2/c1-14-7-8-15(2)20(13-14)28-23-22(17-9-11-18(26)12-10-17)24(30)29(25(23)31)21-6-4-5-19(27)16(21)3/h4-13,28H,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione has a molecular weight of 451.35 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110599709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).