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8-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)-N-(2-amino-4-fluorophenyl)octanamide

HCID 136387984
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cc(F)ccc1NC(=O)CCCCCCCNC(=O)c1ccc(C=NN=C2C(=O)Nc3ccc(F)cc32)cc1
InChIKey
NUPOIVMRFZLRDI-UHFFFAOYSA-N
Molecular formula
C30H30F2N6O3
Average molar mass
560.6 g/mol

Names & identifiers

Preferred name
8-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)-N-(2-amino-4-fluorophenyl)octanamide
IUPAC
N-[8-(2-amino-4-fluoroanilino)-8-oxooctyl]-4-[[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]benzamide

Names & synonyms

SCHEMBL4410657NUPOIVMRFZLRDI-UHFFFAOYSA-N8-(4-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)benzamido)-N-(2-amino-4-fluorophenyl)octanamide

Database identifiers

PubChem CID
136387984

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
138 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
41
Formal charge
0
Complexity
955

Related reactions

2 records
New reaction record
HRID 251690 reaction equation
HRID 251690As productuspto-grants-2011_01
HRID 291486 reaction equation
HRID 291486As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes