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Methyl N-(2-(2-(4-chlorophenoxy)phenyl)acetyl)-N-methylglycinate

HCID 58729181
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)CN(C)C(=O)Cc1ccccc1Oc1ccc(Cl)cc1
InChIKey
JIKYERBDTOGAKP-UHFFFAOYSA-N
Molecular formula
C18H18ClNO4
Average molar mass
347.8 g/mol
Monoisotopic mass
347.0924357

Names & identifiers

Preferred name
Methyl N-(2-(2-(4-chlorophenoxy)phenyl)acetyl)-N-methylglycinate
IUPAC
methyl 2-[[2-[2-(4-chlorophenoxy)phenyl]acetyl]-methylamino]acetate

Names & synonyms

SCHEMBL872624JIKYERBDTOGAKP-UHFFFAOYSA-NMethyl N-(2-(2-(4-chlorophenoxy)phenyl)acetyl)-N-methylglycinatemethyl N-{2-[2-(4-chlorophenoxy)phenyl]-1-oxoethyl}-N-methylglycinate

Database identifiers

PubChem CID
58729181

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Formal charge
0
Complexity
423

Related reactions

2 records
New reaction record
HRID 1122644 reaction equation
HRID 1122644As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2040931 reaction equation
HRID 2040931As reactantuspto-grants-2013_11

Compound notes

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