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Compound
2-ethyl-N-(2-pyrrolidin-1-ylcyclohexyl)-4-(trifluoromethyl)benzamide
HCID
66680915
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Basic information
Standard SMILES
CCc1cc(C(F)(F)F)ccc1C(=O)NC1CCCCC1N1CCCC1
InChIKey
VDAGRLZAUOLEMS-UHFFFAOYSA-N
Molecular formula
C20H27F3N2O
Average molar mass
368.4 g/mol
Monoisotopic mass
368.20754798
Names & identifiers
Preferred name
2-ethyl-N-(2-pyrrolidin-1-ylcyclohexyl)-4-(trifluoromethyl)benzamide
IUPAC
2-ethyl-N-(2-pyrrolidin-1-ylcyclohexyl)-4-(trifluoromethyl)benzamide
Names & synonyms
SCHEMBL421267
Database identifiers
PubChem CID
66680915
Properties
Computed structural properties
XLogP
4.7
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
476
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
309053
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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