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Basic information
- Standard SMILES
C=CCO[C@@H]1CNC[C@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1- InChIKey
LMLDUNMFEQOYTA-ZIAGYGMSSA-N- Molecular formula
- C17H20F3N3O3
- Average molar mass
- 371.35 g/mol
- Monoisotopic mass
- 371.14567599
Names & identifiers
- Preferred name
- Rel-n-(2-{[(3r,4r)-4-(allyloxy)pyrrolidin-3-yl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide
- IUPAC
- N-[2-oxo-2-[[(3R,4R)-4-prop-2-enoxypyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
Names & synonyms
SCHEMBL1361313LMLDUNMFEQOYTA-ZIAGYGMSSA-Nrel-n-(2-{[(3r,4r)-4-(allyloxy)pyrrolidin-3-yl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide
Database identifiers
- PubChem CID
- 67005293
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
2 records
Compound notes
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