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2-(2,5-dimethylphenoxymethyl)-phenylglyoxalic acid amide O-difluoromethyl oxime

HCID 86751972
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C)c(OCc2ccccc2C(=NOC(F)F)C(N)=O)c1
InChIKey
IORJHBKHJUZIJW-UHFFFAOYSA-N
Molecular formula
C18H18F2N2O3
Average molar mass
348.3 g/mol

Names & identifiers

Preferred name
2-(2,5-dimethylphenoxymethyl)-phenylglyoxalic acid amide O-difluoromethyl oxime
IUPAC
2-(difluoromethoxyimino)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetamide

Names & synonyms

2-(2,5-dimethylphenoxymethyl)-phenylglyoxalic acid amide O-difluoromethyl oxime

Database identifiers

PubChem CID
86751972

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
25
Formal charge
0
Complexity
473

Related reactions

2 records
New reaction record
HRID 726861 reaction equation
HRID 726861As productuspto-grants-1998_01
HRID 945715 reaction equation
HRID 945715As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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