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N-{2-Amino-2-oxo-1-[4-(trifluoromethoxy)benzyl]ethyl}-4-(3,3,3-trifluoropropoxy)benzamide

HCID 57972152
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OCCC(F)(F)F)cc1
InChIKey
GWVGTQXZNPPHDV-UHFFFAOYSA-N
Molecular formula
C20H18F6N2O4
Average molar mass
464.4 g/mol

Names & identifiers

Preferred name
N-{2-Amino-2-oxo-1-[4-(trifluoromethoxy)benzyl]ethyl}-4-(3,3,3-trifluoropropoxy)benzamide
IUPAC
N-[1-amino-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-4-(3,3,3-trifluoropropoxy)benzamide

Names & synonyms

N-{2-Amino-2-oxo-1-[4-(trifluoromethoxy)benzyl]ethyl}-4-(3,3,3-trifluoropropoxy)benzamideSCHEMBL4374870

Database identifiers

PubChem CID
57972152

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
90.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
32
Formal charge
0
Complexity
612

Related reactions

2 records
New reaction record
HRID 153530 reaction equation
HRID 153530As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1799284 reaction equation
HRID 1799284As productuspto-grants-2013_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes