3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C25H19F3N2O2 — CID 110560617

IUPAC3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1
InChIInChI=1S/C25H19F3N2O2/c1-2-29(19-13-7-4-8-14-19)22-21(17-10-5-3-6-11-17)23(31)30(24(22)32)20-15-9-12-18(16-20)25(26,27)28/h3-16H,2H2,1H3
InChIKeyAUIVFDVTIZUALR-UHFFFAOYSA-N
MW436.43 g/mol
LogP5.52
Rot. Bonds5

About 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 110560617) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID110560617
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1
InChIInChI=1S/C25H19F3N2O2/c1-2-29(19-13-7-4-8-14-19)22-21(17-10-5-3-6-11-17)23(31)30(24(22)32)20-15-9-12-18(16-20)25(26,27)28/h3-16H,2H2,1H3
InChIKeyAUIVFDVTIZUALR-UHFFFAOYSA-N
XLogP5.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(N-ethylanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180927
3-(N-ethylanilino)-1-(3-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544573
1-[3-(dimethylamino)phenyl]-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545904
1-(3-ethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543002
3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657
1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573344
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110557687
3-(N-ethylanilino)-1-(3-fluorophenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551636
4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
CID 110561205
3-(N-ethylanilino)-4-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110555436
1-(3,4-dimethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545512
N-[4-[1-(3,4-dimethylphenyl)-4-(N-ethylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563350

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 110560617) is 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is CCN(C1=C(c2ccccc2)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is AUIVFDVTIZUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-2-29(19-13-7-4-8-14-19)22-21(17-10-5-3-6-11-17)23(31)30(24(22)32)20-15-9-12-18(16-20)25(26,27)28/h3-16H,2H2,1H3.
What are the key properties of 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 436.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110560617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).