Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
2-[[1-[4-(3-chloro-4-fluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)pentanamide (HCID 178448934)|Huagongshe
Home
/
Compound
2-[[1-[4-(3-chloro-4-fluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)pentanamide
HCID
178448934
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CCCC(NC(c1ccc(-c2ccc(F)c(Cl)c2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
InChIKey
XLHZOGHGXZDNFV-UHFFFAOYSA-N
Molecular formula
C23H22ClF4N3O
Average molar mass
467.9 g/mol
Monoisotopic mass
467.1387527
Names & identifiers
IUPAC
2-[[1-[4-(3-chloro-4-fluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino]-N-(1-cyanocyclopropyl)pentanamide
Database identifiers
PubChem CID
72366000
Properties
Computed structural properties
XLogP
5.6
Topological polar surface area
64.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
697
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
157220
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
Loading…