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Methyl 5-chloro-2-[[2-[2-[4-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate

HCID 66877322
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1ccc(-c2ccc(F)cc2)cc1
InChIKey
SJEJSTIWHLKMOJ-UHFFFAOYSA-N
Molecular formula
C24H20ClFN2O5
Average molar mass
470.9 g/mol

Names & identifiers

Preferred name
Methyl 5-chloro-2-[[2-[2-[4-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
IUPAC
methyl 5-chloro-2-[[2-[2-[4-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate

Names & synonyms

SCHEMBL1015454

Database identifiers

PubChem CID
66877322

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
93.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
Formal charge
0
Complexity
665

Related reactions

1 records
New reaction record
HRID 2137072 reaction equation
HRID 2137072As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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