3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione

C22H21F3N2O3 — CID 110589215

IUPAC3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Nc3cccc(OC(F)(F)F)c3)C(=O)N(C(C)C)C2=O)cc1C
InChIInChI=1S/C22H21F3N2O3/c1-12(2)27-20(28)18(15-9-8-13(3)14(4)10-15)19(21(27)29)26-16-6-5-7-17(11-16)30-22(23,24)25/h5-12,26H,1-4H3
InChIKeyNMOIFHVCLCMUPW-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.80
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione

3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione (PubChem CID 110589215) has the molecular formula C22H21F3N2O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
PubChem CID110589215
Molecular FormulaC22H21F3N2O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Nc3cccc(OC(F)(F)F)c3)C(=O)N(C(C)C)C2=O)cc1C
InChIInChI=1S/C22H21F3N2O3/c1-12(2)27-20(28)18(15-9-8-13(3)14(4)10-15)19(21(27)29)26-16-6-5-7-17(11-16)30-22(23,24)25/h5-12,26H,1-4H3
InChIKeyNMOIFHVCLCMUPW-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethylphenyl)-1-propan-2-yl-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-(3,4-dimethylphenyl)-4-(3-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110589219
3-(3,4-dimethylphenyl)-4-(4-ethoxyanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110589239
3-(4-chlorophenyl)-1-(2-methylpropyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110599477
3-(3-ethoxyanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586623
3-(4-fluorophenyl)-1-propan-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110586637
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586633
3-(4-fluorophenyl)-1-(2-methylphenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110587438
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110586648
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110599618
1-(3-methoxyphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110593979
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595951
3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110597154

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione (CID 110589215) is 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione is Cc1ccc(C2=C(Nc3cccc(OC(F)(F)F)c3)C(=O)N(C(C)C)C2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
The InChIKey is NMOIFHVCLCMUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3/c1-12(2)27-20(28)18(15-9-8-13(3)14(4)10-15)19(21(27)29)26-16-6-5-7-17(11-16)30-22(23,24)25/h5-12,26H,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione?
3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione has a molecular weight of 418.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-propan-2-yl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 110589215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).