Basic information
- CAS
57645-29-1- Standard SMILES
COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1.[Cl-]- InChIKey
HDVRXTYWAURKCS-UHFFFAOYSA-N- Molecular formula
- C22H24Cl2F3N3O3
- Average molar mass
- 506.3 g/mol
- Monoisotopic mass
- 505.1146815
Names & identifiers
- Preferred name
- Benzamide, 5-chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-4-((trifluoroacetyl)amino)-,monohydrochloride
- IUPAC
- N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide chloride
Names & synonyms
57645-29-15-Chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-4-((trifluoroacetyl)amino)benzamide HClBenzamide, 5-chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-4-((trifluoroacetyl)amino)-,monohydrochlorideRefChem:321891
Database identifiers
- CAS
57645-29-1- PubChem CID
- 42489
Properties
Computed structural properties
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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