Dimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)benzyl]malonate

HCID 57719569
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Basic information

Standard SMILES
COC(=O)C(Cc1cccc(COC(=O)Nc2ccc(Cl)cc2Cl)c1)C(=O)OC
InChIKey
MYMSDMPHFOTCKK-UHFFFAOYSA-N
Molecular formula
C20H19Cl2NO6
Average molar mass
440.3 g/mol

Names & identifiers

Preferred name
Dimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)benzyl]malonate
IUPAC
dimethyl 2-[[3-[(2,4-dichlorophenyl)carbamoyloxymethyl]phenyl]methyl]propanedioate

Names & synonyms

SCHEMBL13810346MYMSDMPHFOTCKK-UHFFFAOYSA-NDimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]-oxy}methyl)benzyl]malonateDimethyl 2-[3-({[(2,4-dichloroanilino)carbonyl]oxy}methyl)benzyl]malonate

Database identifiers

PubChem CID
57719569

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
90.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
29

Related reactions

2 records
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Compound notes

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