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

C24H16F4N2O3 — CID 110587438

IUPAC3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C24H16F4N2O3/c1-14-5-2-3-8-19(14)30-22(31)20(15-9-11-16(25)12-10-15)21(23(30)32)29-17-6-4-7-18(13-17)33-24(26,27)28/h2-13,29H,1H3
InChIKeyWTDCKWUVGYQYRV-UHFFFAOYSA-N
MW456.40 g/mol
LogP5.43
Rot. Bonds5

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

3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione (PubChem CID 110587438) has the molecular formula C24H16F4N2O3 and a molecular weight of 456.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
PubChem CID110587438
Molecular FormulaC24H16F4N2O3
Molecular Weight456.40 g/mol
Exact Mass456.11
IUPAC Name3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C24H16F4N2O3/c1-14-5-2-3-8-19(14)30-22(31)20(15-9-11-16(25)12-10-15)21(23(30)32)29-17-6-4-7-18(13-17)33-24(26,27)28/h2-13,29H,1H3
InChIKeyWTDCKWUVGYQYRV-UHFFFAOYSA-N
XLogP5.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587449
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110586648
3-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587455
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595951
1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586975
3-(3,4-dimethoxyphenyl)-4-(3-methoxyanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110597268
1-(3-methoxyphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593979
1-(2-methylphenyl)-3-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110596058
1-(2,4-dimethylphenyl)-3-(3-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587370
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110587281
1-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110587520
3-(4-fluorophenyl)-1-(3-methoxypropyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110586349

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione (CID 110587438) is 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione is Cc1ccccc1N1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The InChIKey is WTDCKWUVGYQYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O3/c1-14-5-2-3-8-19(14)30-22(31)20(15-9-11-16(25)12-10-15)21(23(30)32)29-17-6-4-7-18(13-17)33-24(26,27)28/h2-13,29H,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione has a molecular weight of 456.40 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 110587438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).