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N-[2-hydroxy-4-[[[(Z)-(6-iodo-1,3-dioxoisoquinolin-4-ylidene)methyl]amino]methyl]phenyl]-2-methylpropanamide (HCID 178454464)|Huagongshe
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Compound
N-[2-hydroxy-4-[[[(Z)-(6-iodo-1,3-dioxoisoquinolin-4-ylidene)methyl]amino]methyl]phenyl]-2-methylpropanamide
HCID
178454464
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)C(=O)Nc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(I)cc32)cc1O
InChIKey
FICNVBMKABMCNG-YBEGLDIGSA-N
Molecular formula
C21H20IN3O4
Average molar mass
505.3 g/mol
Monoisotopic mass
505.04985
Names & identifiers
IUPAC
N-[2-hydroxy-4-[[[(Z)-(6-iodo-1,3-dioxoisoquinolin-4-ylidene)methyl]amino]methyl]phenyl]-2-methylpropanamide
Database identifiers
PubChem CID
59300055
Properties
Computed structural properties
XLogP
3.5
Topological polar surface area
108 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
681
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
2236775
As product
uspto-grants-2010_05
HRID
2236780
As product
uspto-grants-2010_05
Compound notes
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