1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

C26H24N2O4 — CID 110598255

IUPAC1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C26H24N2O4/c1-16-8-7-10-21(17(16)2)28-25(29)23(20-9-5-6-11-22(20)32-4)24(26(28)30)27-18-12-14-19(31-3)15-13-18/h5-15,27H,1-4H3
InChIKeyVMXIDUVBZBCHRA-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.72
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110598255) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110598255
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3cccc(C)c3C)C2=O)cc1
InChIInChI=1S/C26H24N2O4/c1-16-8-7-10-21(17(16)2)28-25(29)23(20-9-5-6-11-22(20)32-4)24(26(28)30)27-18-12-14-19(31-3)15-13-18/h5-15,27H,1-4H3
InChIKeyVMXIDUVBZBCHRA-UHFFFAOYSA-N
XLogP4.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-anilino-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593483
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110598556
3-(4-methoxyanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110598415
3-(3,5-dimethoxyanilino)-1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593463
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593657
3-(3-fluoroanilino)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110598565
1-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598653
3-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587455
1-(3-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 110589321
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598509
3-[4-(dimethylamino)anilino]-1-(2,4-dimethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598497
1-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110593462

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110598255) is 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3cccc(C)c3C)C2=O)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is VMXIDUVBZBCHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-16-8-7-10-21(17(16)2)28-25(29)23(20-9-5-6-11-22(20)32-4)24(26(28)30)27-18-12-14-19(31-3)15-13-18/h5-15,27H,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 428.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(4-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).