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

C24H18Cl2N2O2 — CID 110599982

IUPAC3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Nc3cc(Cl)ccc3C)=C(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H18Cl2N2O2/c1-14-3-11-19(12-4-14)28-23(29)21(16-6-9-17(25)10-7-16)22(24(28)30)27-20-13-18(26)8-5-15(20)2/h3-13,27H,1-2H3
InChIKeyXLVWHPYWGVXCEI-UHFFFAOYSA-N
MW437.33 g/mol
LogP6.01
Rot. Bonds4

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

3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110599982) has the molecular formula C24H18Cl2N2O2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110599982
Molecular FormulaC24H18Cl2N2O2
Molecular Weight437.33 g/mol
Exact Mass436.07
IUPAC Name3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Nc3cc(Cl)ccc3C)=C(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H18Cl2N2O2/c1-14-3-11-19(12-4-14)28-23(29)21(16-6-9-17(25)10-7-16)22(24(28)30)27-20-13-18(26)8-5-15(20)2/h3-13,27H,1-2H3
InChIKeyXLVWHPYWGVXCEI-UHFFFAOYSA-N
XLogP6.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 56.01
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-(5-chloro-2-methylanilino)-1-(4-chlorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589582
3-(5-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597249
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599808
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110600066
3-(5-chloro-2-methylanilino)-1-(3,4-dimethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595292
3-(2,5-dimethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110586719
3-(5-chloro-2-methylanilino)-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110588182
3-(5-chloro-2-methylanilino)-1-(3,5-dimethylphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585488
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)-1-methylpyrrole-2,5-dione
CID 110599314
1-(3,4-difluorophenyl)-3-(2,5-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587504
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2,5-dimethylanilino)pyrrole-2,5-dione
CID 110599709
3-(5-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110589257

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione (CID 110599982) is 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(N2C(=O)C(Nc3cc(Cl)ccc3C)=C(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is XLVWHPYWGVXCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2/c1-14-3-11-19(12-4-14)28-23(29)21(16-6-9-17(25)10-7-16)22(24(28)30)27-20-13-18(26)8-5-15(20)2/h3-13,27H,1-2H3.
What are the key properties of 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 437.33 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110599982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).