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

C24H17F3N2O4 — CID 110593936

IUPAC3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C24H17F3N2O4/c1-32-18-11-7-16(8-12-18)28-21-20(15-5-3-2-4-6-15)22(30)29(23(21)31)17-9-13-19(14-10-17)33-24(25,26)27/h2-14,28H,1H3
InChIKeyXDFLHPGOTIRXCA-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.99
Rot. Bonds6

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

3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 110593936) has the molecular formula C24H17F3N2O4 and a molecular weight of 454.40 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
PubChem CID110593936
Molecular FormulaC24H17F3N2O4
Molecular Weight454.40 g/mol
Exact Mass454.11
IUPAC Name3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C24H17F3N2O4/c1-32-18-11-7-16(8-12-18)28-21-20(15-5-3-2-4-6-15)22(30)29(23(21)31)17-9-13-19(14-10-17)33-24(25,26)27/h2-14,28H,1H3
InChIKeyXDFLHPGOTIRXCA-UHFFFAOYSA-N
XLogP4.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593620
1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595324
3-(4-ethoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593939
3-(3,5-dimethylanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593933
1-(3-methoxyphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593979
3-(2,3-dimethylanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593941
3-(3-methoxyanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110596141
1-(4-tert-butylphenyl)-3-(4-fluorophenyl)-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 110587098
3-(4-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)anilino]-1-phenylpyrrole-2,5-dione
CID 110593504
1-(4-ethylphenyl)-3-(4-fluoroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593398
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110593744
1-(4-ethoxyphenyl)-3-(4-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593423

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (CID 110593936) is 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is COc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is XDFLHPGOTIRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O4/c1-32-18-11-7-16(8-12-18)28-21-20(15-5-3-2-4-6-15)22(30)29(23(21)31)17-9-13-19(14-10-17)33-24(25,26)27/h2-14,28H,1H3.
What are the key properties of 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 454.40 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 110593936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).