N-(4-Chloro-2-fluoro-3-(3-(2-fluoro-4-(trifluoromethyl)phenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzyl)pivalamide

HCID 136246014
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Basic information

Standard SMILES
CC(C)(C)C(=O)NCc1ccc(Cl)c(-n2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2=O)c1F
InChIKey
HLNDFZRPGMYARM-UHFFFAOYSA-N
Molecular formula
C21H18ClF5N4O2
Average molar mass
488.8 g/mol

Names & identifiers

Preferred name
N-(4-Chloro-2-fluoro-3-(3-(2-fluoro-4-(trifluoromethyl)phenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzyl)pivalamide
IUPAC
N-[[4-chloro-2-fluoro-3-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-oxo-4H-1,2,4-triazol-1-yl]phenyl]methyl]-2,2-dimethylpropanamide

Names & synonyms

N-(4-Chloro-2-fluoro-3-(3-(2-fluoro-4-(trifluoromethyl)phenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzyl)pivalamideSCHEMBL15559710

Database identifiers

PubChem CID
136246014

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
73.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
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Compound notes

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N-(4-Chloro-2-fluoro-3-(3-(2-fluoro-4-(trifluoromethyl)phenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzyl)pivalamide (HCID 136246014)｜Huagongshe