3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione

C25H19F3N2O4 — CID 110593620

IUPAC3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3ccc(OC(F)(F)F)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C25H19F3N2O4/c1-15-3-9-18(10-4-15)30-23(31)21(16-5-11-19(33-2)12-6-16)22(24(30)32)29-17-7-13-20(14-8-17)34-25(26,27)28/h3-14,29H,1-2H3
InChIKeyYPCTYXHBCBZXIL-UHFFFAOYSA-N
MW468.43 g/mol
LogP5.30
Rot. Bonds6

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

3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione (PubChem CID 110593620) has the molecular formula C25H19F3N2O4 and a molecular weight of 468.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
PubChem CID110593620
Molecular FormulaC25H19F3N2O4
Molecular Weight468.43 g/mol
Exact Mass468.13
IUPAC Name3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(Nc3ccc(OC(F)(F)F)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C25H19F3N2O4/c1-15-3-9-18(10-4-15)30-23(31)21(16-5-11-19(33-2)12-6-16)22(24(30)32)29-17-7-13-20(14-8-17)34-25(26,27)28/h3-14,29H,1-2H3
InChIKeyYPCTYXHBCBZXIL-UHFFFAOYSA-N
XLogP5.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 55.30
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-methoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593936
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588348
3-(3,5-dimethylanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593933
1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595324
1-(4-tert-butylphenyl)-3-(4-fluorophenyl)-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 110587098
3-(4-ethoxyanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593939
1-(3,4-dimethylphenyl)-3-(4-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593384
1-(4-ethoxyphenyl)-3-(4-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593423
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110593744
1-(4-ethylphenyl)-3-(4-fluoroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593398
3-(3,5-dimethylanilino)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593263
3-(3,4-dimethylanilino)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110586847

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione (CID 110593620) is 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione is COc1ccc(C2=C(Nc3ccc(OC(F)(F)F)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The InChIKey is YPCTYXHBCBZXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O4/c1-15-3-9-18(10-4-15)30-23(31)21(16-5-11-19(33-2)12-6-16)22(24(30)32)29-17-7-13-20(14-8-17)34-25(26,27)28/h3-14,29H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione has a molecular weight of 468.43 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 110593620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).