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

C26H24N2O2 — CID 110595345

IUPAC3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(CC)cc3)C2=O)cc1
InChIInChI=1S/C26H24N2O2/c1-3-18-10-14-21(15-11-18)27-24-23(20-8-6-5-7-9-20)25(29)28(26(24)30)22-16-12-19(4-2)13-17-22/h5-17,27H,3-4H2,1-2H3
InChIKeyHWHPTYDPRGWZQM-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.21
Rot. Bonds6

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

3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595345) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595345
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(CC)cc3)C2=O)cc1
InChIInChI=1S/C26H24N2O2/c1-3-18-10-14-21(15-11-18)27-24-23(20-8-6-5-7-9-20)25(29)28(26(24)30)22-16-12-19(4-2)13-17-22/h5-17,27H,3-4H2,1-2H3
InChIKeyHWHPTYDPRGWZQM-UHFFFAOYSA-N
XLogP5.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.21
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-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595536
1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595324
1-(4-ethylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595340
3-(4-ethoxyphenyl)-4-(4-ethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110588217
3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595841
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110596205
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
1-(4-ethylphenyl)-3-(4-fluoroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593398
3-(4-ethoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593939
3-(4-ethylanilino)-1-(3-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592521
N-[4-[4-(3,5-dimethylanilino)-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596681
3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595070

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione (CID 110595345) is 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione is CCc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(CC)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is HWHPTYDPRGWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-3-18-10-14-21(15-11-18)27-24-23(20-8-6-5-7-9-20)25(29)28(26(24)30)22-16-12-19(4-2)13-17-22/h5-17,27H,3-4H2,1-2H3.
What are the key properties of 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione?
3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 396.49 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).