1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione

C25H19F3N2O3 — CID 110595324

IUPAC1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(Nc3ccc(OC(F)(F)F)cc3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H19F3N2O3/c1-2-16-8-12-19(13-9-16)30-23(31)21(17-6-4-3-5-7-17)22(24(30)32)29-18-10-14-20(15-11-18)33-25(26,27)28/h3-15,29H,2H2,1H3
InChIKeyCZVYMMQFVQGECM-UHFFFAOYSA-N
MW452.43 g/mol
LogP5.54
Rot. Bonds6

About 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione

1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione (PubChem CID 110595324) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
PubChem CID110595324
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC Name1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(Nc3ccc(OC(F)(F)F)cc3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H19F3N2O3/c1-2-16-8-12-19(13-9-16)30-23(31)21(17-6-4-3-5-7-17)22(24(30)32)29-18-10-14-20(15-11-18)33-25(26,27)28/h3-15,29H,2H2,1H3
InChIKeyCZVYMMQFVQGECM-UHFFFAOYSA-N
XLogP5.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 55.54
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-ethoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593939
3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593936
3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595345
3-(3,5-dimethylanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593933
1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595536
3-(4-ethoxyphenyl)-4-(4-ethylanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110588217
1-(4-ethylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595340
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593620
1-(4-ethylphenyl)-3-(4-fluoroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593398
3-(2,3-dimethylanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593941
3-(4-ethylanilino)-1-(3-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592521
3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595841

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione (CID 110595324) is 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione is CCc1ccc(N2C(=O)C(Nc3ccc(OC(F)(F)F)cc3)=C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The InChIKey is CZVYMMQFVQGECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c1-2-16-8-12-19(13-9-16)30-23(31)21(17-6-4-3-5-7-17)22(24(30)32)29-18-10-14-20(15-11-18)33-25(26,27)28/h3-15,29H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione has a molecular weight of 452.43 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 110595324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).