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

C24H18Cl2N2O3 — CID 110600125

IUPAC3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C)C2=O)cc1Cl
InChIInChI=1S/C24H18Cl2N2O3/c1-14-5-3-4-6-19(14)28-23(29)21(15-7-9-16(25)10-8-15)22(24(28)30)27-17-11-12-20(31-2)18(26)13-17/h3-13,27H,1-2H3
InChIKeyITOIYWZRGPWAQW-UHFFFAOYSA-N
MW453.33 g/mol
LogP5.71
Rot. Bonds5

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

3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 110600125) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID110600125
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC Name3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C)C2=O)cc1Cl
InChIInChI=1S/C24H18Cl2N2O3/c1-14-5-3-4-6-19(14)28-23(29)21(15-7-9-16(25)10-8-15)22(24(28)30)27-17-11-12-20(31-2)18(26)13-17/h3-13,27H,1-2H3
InChIKeyITOIYWZRGPWAQW-UHFFFAOYSA-N
XLogP5.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-phenylpyrrole-2,5-dione
CID 110599882
3-(3-chloro-4-methoxyanilino)-1-(2-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593322
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110600121
3-(3-chloro-4-methoxyanilino)-1-(2,5-dimethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586964
3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110599644
3-(3-chloro-4-methoxyanilino)-1-(2,4-difluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587530
1-(2-chlorophenyl)-3-(3,4-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593886
3-(3,4-dimethoxyphenyl)-4-(3-methoxyanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110597268
3-(3-chloro-4-methoxyanilino)-1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593381
3-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598315
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110600008
N-[4-[4-(3-chloro-4-methoxyanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596723

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione (CID 110600125) is 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione is COc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C)C2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is ITOIYWZRGPWAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-14-5-3-4-6-19(14)28-23(29)21(15-7-9-16(25)10-8-15)22(24(28)30)27-17-11-12-20(31-2)18(26)13-17/h3-13,27H,1-2H3.
What are the key properties of 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione?
3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 453.33 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyanilino)-4-(4-chlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110600125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).