Dimethyl 2-[3-({[(3-chloroanilino)carbonyl]oxy}methyl)benzyl]malonate

HCID 57719967
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Basic information

Standard SMILES
COC(=O)C(Cc1cccc(COC(=O)Nc2cccc(Cl)c2)c1)C(=O)OC
InChIKey
JOAMHTUTDDOLMN-UHFFFAOYSA-N
Molecular formula
C20H20ClNO6
Average molar mass
405.8 g/mol
Monoisotopic mass
405.0979151

Names & identifiers

Preferred name
Dimethyl 2-[3-({[(3-chloroanilino)carbonyl]oxy}methyl)benzyl]malonate
IUPAC
dimethyl 2-[[3-[(3-chlorophenyl)carbamoyloxymethyl]phenyl]methyl]propanedioate

Names & synonyms

SCHEMBL13810357JOAMHTUTDDOLMN-UHFFFAOYSA-NDimethyl 2-[3-({[(3-chloroanilino)carbonyl]oxy}-methyl)benzyl]malonateDimethyl 2-[3-({[(3-chloroanilino)carbonyl]oxy}methyl)benzyl]malonate

Database identifiers

PubChem CID
57719967

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
90.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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