1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione

C19H18N2O2 — CID 16647809

IUPAC1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=CC(=O)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C19H18N2O2/c1-13-8-14(2)10-16(9-13)20-17-11-18(22)21(19(17)23)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
InChIKeyCWYLSBHNZMPMLS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.17
Rot. Bonds4

About 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione

1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione (PubChem CID 16647809) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione
PubChem CID16647809
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=CC(=O)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C19H18N2O2/c1-13-8-14(2)10-16(9-13)20-17-11-18(22)21(19(17)23)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
InChIKeyCWYLSBHNZMPMLS-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.17
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-ethoxyanilino)pyrrole-2,5-dione
CID 16647792
3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 165019801
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 7819908
3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 16647871
N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
CID 168558499
1-benzyl-3-hydroxypyrrole-2,5-dione
CID 54733254
3-(3,5-difluoro-4-hydroxyanilino)-1-[(2,4-dimethylphenyl)methyl]pyrrole-2,5-dione
CID 163369643
3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 60902619
3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione
CID 16647844
3-(3,5-dimethylanilino)-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110600465
3-(3-bromoanilino)-1-ethylpyrrole-2,5-dione
CID 16647846
1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione
CID 167897715

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione (CID 16647809) is 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione is Cc1cc(C)cc(NC2=CC(=O)N(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione?
The InChIKey is CWYLSBHNZMPMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-8-14(2)10-16(9-13)20-17-11-18(22)21(19(17)23)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3.
What are the key properties of 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione?
1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione has a molecular weight of 306.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 16647809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).