3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione

C24H18Cl2N2O3 — CID 110568709

IUPAC3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccc(Cl)cc3Cl)=C(N(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-27(16-6-4-3-5-7-16)22-21(19-13-8-15(25)14-20(19)26)23(29)28(24(22)30)17-9-11-18(31-2)12-10-17/h3-14H,1-2H3
InChIKeyWAWJNXRKZSBBTE-UHFFFAOYSA-N
MW453.33 g/mol
LogP5.42
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110568709) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110568709
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC Name3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccc(Cl)cc3Cl)=C(N(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-27(16-6-4-3-5-7-16)22-21(19-13-8-15(25)14-20(19)26)23(29)28(24(22)30)17-9-11-18(31-2)12-10-17/h3-14H,1-2H3
InChIKeyWAWJNXRKZSBBTE-UHFFFAOYSA-N
XLogP5.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110568670
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576010
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
1-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110567390
1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110558315
1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574357
3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110555615
3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 720525
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-(3-chlorophenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554624
3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110576170

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione (CID 110568709) is 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione is COc1ccc(N2C(=O)C(c3ccc(Cl)cc3Cl)=C(N(C)c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is WAWJNXRKZSBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-27(16-6-4-3-5-7-16)22-21(19-13-8-15(25)14-20(19)26)23(29)28(24(22)30)17-9-11-18(31-2)12-10-17/h3-14H,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 453.33 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110568709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).