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Basic information
- Standard SMILES
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(F)(c3ccccc3)CC2)C1- InChIKey
UIXXHYJYOADLPS-UHFFFAOYSA-N- Molecular formula
- C25H27F4N3O2
- Average molar mass
- 477.5 g/mol
Names & identifiers
- Preferred name
- N-{[1-(4-Fluoro-4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
- IUPAC
- N-[2-[[1-(4-fluoro-4-phenylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Names & synonyms
CHEMBL1829636N-{[1-(4-Fluoro-4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamideSCHEMBL613825SCHEMBL10162032UIXXHYJYOADLPS-SAIGFBBZSA-NBDBM50353190
Database identifiers
- PubChem CID
- 49763574
- ChEMBL
CHEMBL1829636
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 711
Related reactions
2 records
Compound notes
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