3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione

C25H22N2O2 — CID 110588824

IUPAC3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Nc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1C
InChIInChI=1S/C25H22N2O2/c1-17-13-14-20(15-18(17)2)22-23(26-21-11-7-4-8-12-21)25(29)27(24(22)28)16-19-9-5-3-6-10-19/h3-15,26H,16H2,1-2H3
InChIKeySQANBJWJIITWGY-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.70
Rot. Bonds5

About 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione

3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110588824) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110588824
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Nc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1C
InChIInChI=1S/C25H22N2O2/c1-17-13-14-20(15-18(17)2)22-23(26-21-11-7-4-8-12-21)25(29)27(24(22)28)16-19-9-5-3-6-10-19/h3-15,26H,16H2,1-2H3
InChIKeySQANBJWJIITWGY-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.70
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

1-benzyl-3-[4-(dimethylamino)anilino]-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110588808
3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110588682
3-[4-(dimethylamino)anilino]-4-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110589022
3-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110589029
1-benzyl-3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)pyrrole-2,5-dione
CID 110599221
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
1-benzyl-3-(5-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)pyrrole-2,5-dione
CID 110596883
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
1-benzyl-3-(3,4-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590780
1-benzyl-3-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110596880
N-[4-[4-anilino-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596276
3-(3,4-dimethylanilino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110593951

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione (CID 110588824) is 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(Nc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1C.
What is the InChIKey of 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is SQANBJWJIITWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-13-14-20(15-18(17)2)22-23(26-21-11-7-4-8-12-21)25(29)27(24(22)28)16-19-9-5-3-6-10-19/h3-15,26H,16H2,1-2H3.
What are the key properties of 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 382.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110588824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).