Ethyl 2-methyl-5-oxo-1-phenyl-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate
Basic information
- CAS
6181-78-8- Standard SMILES
CCOC(=O)C1(C)C=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1- InChIKey
ISAMVZBVFOWKJA-UHFFFAOYSA-N- Molecular formula
- C21H19F3N2O3
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.13477696
Names & identifiers
- Preferred name
- Ethyl 2-methyl-5-oxo-1-phenyl-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 2-methyl-5-oxo-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2-carboxylate
Names & synonyms
6181-78-8Ethyl 2-methyl-5-oxo-1-phenyl-4-((3-(trifluoromethyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2-carboxylateethyl 2-methyl-5-oxo-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2-carboxylate339334-90-6ethyl 2-methyl-5-oxo-1-phenyl-4-{[3-(trifluoromethyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2-carboxylateEthyl 2-methyl-5-oxo-1-phenyl-4-[3-(trifluoromethyl)anilino]-2,5-dihydro-1H-pyrrole-2-carboxylateHMS664J22ChemDiv1_027324DTXSID50387434HTS05522STL001038AKOS001668610
Show more names
AKOS022003214ETHYL 2-METHYL-5-OXO-1-PHENYL-4-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]PYRROLE-2-CARBOXYLATEAG-205/11559388SR-01000517477SR-01000517477-1
Database identifiers
- CAS
6181-78-8- PubChem CID
- 2889718
- DTXSID
DTXSID50387434
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 658
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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