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N-ethyl-N-(1-benzylpiperid-4-yl)-2-methoxy-4-trifluoroacetylamino-5-chlorobenzamide

HCID 12866406
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCN(C(=O)c1cc(Cl)c(NC(=O)C(F)(F)F)cc1OC)C1CCN(Cc2ccccc2)CC1
InChIKey
QRCCUXYRRWIZBC-UHFFFAOYSA-N
Molecular formula
C24H27ClF3N3O3
Average molar mass
497.9 g/mol
Monoisotopic mass
497.1693039

Names & identifiers

Preferred name
N-ethyl-N-(1-benzylpiperid-4-yl)-2-methoxy-4-trifluoroacetylamino-5-chlorobenzamide
IUPAC
N-(1-benzylpiperidin-4-yl)-5-chloro-N-ethyl-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide

Names & synonyms

N-ethyl-N-(1-benzylpiperid-4-yl)-2-methoxy-4-trifluoroacetylamino-5-chlorobenzamideSCHEMBL11183064

Database identifiers

PubChem CID
12866406

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Formal charge
0
Complexity
682

Related reactions

2 records
New reaction record
HRID 136221 reaction equation
HRID 136221As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1163889 reaction equation
HRID 1163889As productuspto-grants-1983_01

Compound notes

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