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Methyl 5-chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate

HCID 66877445
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Basic information

Standard SMILES
COC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)Nc1cccc(-c2ccc(F)cc2)c1
InChIKey
KTDCMGOOOASOGI-UHFFFAOYSA-N
Molecular formula
C24H20ClFN2O5
Average molar mass
470.9 g/mol
Monoisotopic mass
470.1044776

Names & identifiers

Preferred name
Methyl 5-chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
IUPAC
methyl 5-chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethoxy]acetyl]amino]benzoate

Names & synonyms

SCHEMBL1015837

Database identifiers

PubChem CID
66877445

Properties

Computed structural propertiesFilling in

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
673

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Related reactions

1 records
New reaction record
HRID 1224281 reaction equation
HRID 1224281As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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