Rel-n-(2-{[(3r,4r)-4-(allyloxy)-1-(tetrahydro-2h-pyran-4-yl)pyrrolidin-3-yl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide

HCID 67005152

Basic information

Standard SMILES
C=CCO[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1
InChIKey
XSVRCTTUNHKLMX-RTBURBONSA-N
Molecular formula
C22H28F3N3O4
Average molar mass
455.5 g/mol

Names & identifiers

Preferred name
Rel-n-(2-{[(3r,4r)-4-(allyloxy)-1-(tetrahydro-2h-pyran-4-yl)pyrrolidin-3-yl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide
IUPAC
N-[2-[[(3R,4R)-1-(oxan-4-yl)-4-prop-2-enoxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Names & synonyms

SCHEMBL1360795XSVRCTTUNHKLMX-RTBURBONSA-Nrel-n-(2-{[(3r,4r)-4-(allyloxy)-1-(tetrahydro-2h-pyran-4-yl)pyrrolidin-3-yl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide

Database identifiers

PubChem CID
67005152

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
79.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
32

Related reactions

3 records

Compound notes

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