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Basic information
- Standard SMILES
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3ccc4c(c3)OCO4)CC2)C1- InChIKey
QTNRUICBYFHOBZ-UHFFFAOYSA-N- Molecular formula
- C26H28F3N3O4
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.20319087
Names & identifiers
- Preferred name
- N-[2-[[1-[4-(1,3-benzodioxol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
- IUPAC
- N-[2-[[1-[4-(1,3-benzodioxol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Names & synonyms
CHEMBL1829605CHEMBL1829606N-[2-[[1-[4-(1,3-benzodioxol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamideSCHEMBL614554SCHEMBL10160962QTNRUICBYFHOBZ-NBEIKUQISA-NBDBM50353216BDBM50353224N-{[1-(4-Benzo[1,3]-dioxol-5-yl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
Database identifiers
- PubChem CID
- 49763568
- ChEMBL
CHEMBL1829605、CHEMBL1829606
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 783
Related reactions
2 records
Compound notes
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