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N-(2-hydroxy-1,1-dimethylethyl)-4-(trifluoromethoxy)benzamide

HCID 43390602
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(CO)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIKey
JDGPVQRNJKRTBU-UHFFFAOYSA-N
Molecular formula
C12H14F3NO3
Average molar mass
277.24 g/mol

Names & identifiers

Preferred name
N-(2-hydroxy-1,1-dimethylethyl)-4-(trifluoromethoxy)benzamide
IUPAC
N-(1-hydroxy-2-methylpropan-2-yl)-4-(trifluoromethoxy)benzamide

Names & synonyms

N-(2-hydroxy-1,1-dimethylethyl)-4-(trifluoromethoxy)benzamideSCHEMBL3036187AKOS008975621

Database identifiers

PubChem CID
43390602

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
310

Related reactions

4 records
New reaction record
HRID 213658 reaction equation
HRID 213658As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1206583 reaction equation
HRID 1206583As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1873834 reaction equation
HRID 1873834As productuspto-grants-2012_11
HRID 1873835 reaction equation
HRID 1873835As reactantuspto-grants-2012_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes