1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione

C25H22N2O2 — CID 110594470

IUPAC1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H22N2O2/c1-2-18-13-15-21(16-14-18)26-23-22(20-11-7-4-8-12-20)24(28)27(25(23)29)17-19-9-5-3-6-10-19/h3-16,26H,2,17H2,1H3
InChIKeyNLBMTSKNBGTPNC-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.64
Rot. Bonds6

About 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione

1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110594470) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110594470
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H22N2O2/c1-2-18-13-15-21(16-14-18)26-23-22(20-11-7-4-8-12-20)24(28)27(25(23)29)17-19-9-5-3-6-10-19/h3-16,26H,2,17H2,1H3
InChIKeyNLBMTSKNBGTPNC-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.64
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-(4-ethylanilino)-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110600475
1-benzyl-3-(4-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590782
1-[(4-chlorophenyl)methyl]-3-(4-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594259
3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595345
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
3-[4-(dimethylamino)anilino]-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594695
N-[4-[4-anilino-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596276
N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596341
1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595536
3-[4-(dimethylamino)anilino]-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110594431
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110592605
3-anilino-1-benzyl-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110588824

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione (CID 110594470) is 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione is CCc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is NLBMTSKNBGTPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-2-18-13-15-21(16-14-18)26-23-22(20-11-7-4-8-12-20)24(28)27(25(23)29)17-19-9-5-3-6-10-19/h3-16,26H,2,17H2,1H3.
What are the key properties of 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione?
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 382.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).