Dimethyl 2-(4-chlorobenzoylamino)malonate

HCID 68614697
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Basic information

Standard SMILES
COC(=O)C(NC(=O)c1ccc(Cl)cc1)C(=O)OC
InChIKey
GPDYXZCYXCZIDY-UHFFFAOYSA-N
Molecular formula
C12H12ClNO5
Average molar mass
285.68 g/mol

Names & identifiers

Preferred name
Dimethyl 2-(4-chlorobenzoylamino)malonate
IUPAC
dimethyl 2-[(4-chlorobenzoyl)amino]propanedioate

Names & synonyms

SCHEMBL3365792GPDYXZCYXCZIDY-UHFFFAOYSA-Ndimethyl 2-(4-chlorobenzoylamino)malonatedimethyl 2-(4-chlorobenzoylamino)-malonate

Database identifiers

PubChem CID
68614697

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
81.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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