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2-Benzyloxy-5-(4-benzylpiperidine-1-carbonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-benzamide

HCID 23069964
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1
InChIKey
QIILLHGKRLASBI-UHFFFAOYSA-N
Molecular formula
C35H30F6N2O3
Average molar mass
640.6 g/mol

Names & identifiers

Preferred name
2-Benzyloxy-5-(4-benzylpiperidine-1-carbonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-benzamide
IUPAC
5-(4-benzylpiperidine-1-carbonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxybenzamide

Names & synonyms

2-Benzyloxy-5-(4-benzylpiperidine-1-carbonyl)-N-[3,5-bis(trifluoromethyl)phenyl]-benzamideSCHEMBL32773632-Benzyloxy-5-(4-benzylpiperidine-1-carbonyl)-N-[3,5-bis(trifluoromethyl)phenyl]benzamide

Database identifiers

PubChem CID
23069964

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
58.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
46
Formal charge
0
Complexity
964

Related reactions

2 records
New reaction record
HRID 644425 reaction equation
HRID 644425As productuspto-grants-2010_04
HRID 813649 reaction equation
HRID 813649As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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