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Ethyl (5-chloro-2-fluoro-4-((2-methyl-3-indazolylcarbonyl)amino)phenyl)acetate

HCID 58778670
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)Cc1cc(Cl)c(NC(=O)c2c3ccccc3nn2C)cc1F
InChIKey
SVVABVOTLZGUJI-UHFFFAOYSA-N
Molecular formula
C19H17ClFN3O3
Average molar mass
389.8 g/mol

Names & identifiers

Preferred name
Ethyl (5-chloro-2-fluoro-4-((2-methyl-3-indazolylcarbonyl)amino)phenyl)acetate
IUPAC
ethyl 2-[5-chloro-2-fluoro-4-[(2-methylindazole-3-carbonyl)amino]phenyl]acetate

Names & synonyms

SCHEMBL14592356SVVABVOTLZGUJI-UHFFFAOYSA-Nethyl (5-chloro-2-fluoro-4-((2-methyl-3-indazolylcarbonyl)amino)phenyl)acetate

Database identifiers

PubChem CID
58778670

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
73.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
552

Related reactions

4 records
New reaction record
HRID 956264 reaction equation
HRID 956264As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1214697 reaction equation
HRID 1214697As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1372742 reaction equation
HRID 1372742As productuspto-grants-2007_01
HRID 1372743 reaction equation
HRID 1372743As reactantuspto-grants-2007_01

Compound notes

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