Basic information
- Standard SMILES
COc1cc(NC(C)=O)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC- InChIKey
KYTNJSVUKWJFLT-XUZZJYLKSA-N- Molecular formula
- C25H31ClFN3O5
- Average molar mass
- 508 g/mol
- Monoisotopic mass
- 507.193627
Names & identifiers
- Preferred name
- cis-4-(acetylamino)-5-chloro-N-[1-[3-(4-fluorophenoxy)-propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide
- IUPAC
- 4-acetamido-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
Names & synonyms
SCHEMBL9721572KYTNJSVUKWJFLT-XUZZJYLKSA-Ncis-4-(acetylamino)-5-chloro-N-[1-[3-(4-fluorophenoxy)-propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide
Database identifiers
- PubChem CID
- 15096838
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 681
Related reactions
2 records
Compound notes
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