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N-[2-(1H-Imidazol-2-yl)ethyl]-2-[[4-(trifluoromethyl)-benzoyl]amino]benzamide

HCID 20085692
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1ccccc1C(=O)NCCc1ncc[nH]1)c1ccc(C(F)(F)F)cc1
InChIKey
XYGSNHWKTPFHIF-UHFFFAOYSA-N
Molecular formula
C20H17F3N4O2
Average molar mass
402.4 g/mol

Names & identifiers

Preferred name
N-[2-(1H-Imidazol-2-yl)ethyl]-2-[[4-(trifluoromethyl)-benzoyl]amino]benzamide
IUPAC
N-[2-(1H-imidazol-2-yl)ethyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide

Names & synonyms

N-[2-(1H-Imidazol-2-yl)ethyl]-2-[[4-(trifluoromethyl)-benzoyl]amino]benzamideSCHEMBL9229693

Database identifiers

PubChem CID
20085692

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
86.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
564

Related reactions

2 records
New reaction record
HRID 1136111 reaction equation
HRID 1136111As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1608827 reaction equation
HRID 1608827As productuspto-grants-1995_03

Compound notes

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