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N-{[4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-2-[4-(trifluoromethyl)phenyl]acetamide

HCID 21962841
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cc1ccc(C(F)(F)F)cc1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIKey
AXAYMEOPQHXZBZ-UHFFFAOYSA-N
Molecular formula
C21H21Cl2F3N2O2
Average molar mass
461.3 g/mol

Names & identifiers

Preferred name
N-{[4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-2-[4-(trifluoromethyl)phenyl]acetamide
IUPAC
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

Names & synonyms

N-{[4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-2-[4-(trifluoromethyl)phenyl]acetamideSCHEMBL4021903

Database identifiers

PubChem CID
21962841

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Formal charge
0
Complexity
559

Related reactions

2 records
New reaction record
HRID 96032 reaction equation
HRID 96032As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2211993 reaction equation
HRID 2211993As productuspto-grants-2006_09

Compound notes

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