N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
Basic information
- CAS
5726-91-0- Standard SMILES
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
VXHIGRBHEKTLHV-UHFFFAOYSA-N- Molecular formula
- C23H16ClF3N2O3
- Average molar mass
- 460.8 g/mol
- Monoisotopic mass
- 460.0801546
Names & identifiers
- Preferred name
- N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
- IUPAC
- N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
Names & synonyms
5726-91-0N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamideDTXSID20411078N-[4-Chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide
Database identifiers
- CAS
5726-91-0- PubChem CID
- 5221558
- DTXSID
DTXSID20411078
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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