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

C25H22N2O3 — CID 110595841

IUPAC3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C25H22N2O3/c1-3-17-13-15-19(16-14-17)26-23-22(18-9-5-4-6-10-18)24(28)27(25(23)29)20-11-7-8-12-21(20)30-2/h4-16,26H,3H2,1-2H3
InChIKeyJPDJXYMEFRVMCP-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.65
Rot. Bonds6

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

3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595841) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595841
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C25H22N2O3/c1-3-17-13-15-19(16-14-17)26-23-22(18-9-5-4-6-10-18)24(28)27(25(23)29)20-11-7-8-12-21(20)30-2/h4-16,26H,3H2,1-2H3
InChIKeyJPDJXYMEFRVMCP-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593657
3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595345
1-(2-methoxyphenyl)-3-phenyl-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110595827
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110596205
3-anilino-1-(2-ethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593309
1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595536
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598647
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110587281
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598509
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585710
1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595324

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione (CID 110595841) is 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione is CCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3OC)C2=O)cc1.
What is the InChIKey of 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is JPDJXYMEFRVMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-3-17-13-15-19(16-14-17)26-23-22(18-9-5-4-6-10-18)24(28)27(25(23)29)20-11-7-8-12-21(20)30-2/h4-16,26H,3H2,1-2H3.
What are the key properties of 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 398.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).