Basic information
- Standard SMILES
COC(=O)c1cccc(NCc2cccc(Cl)c2)c1C(=O)OC- InChIKey
ZGWPOYWITLOLSD-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO4
- Average molar mass
- 333.8 g/mol
Names & identifiers
- Preferred name
- 3-(3-Chloro-benzylamino)-phthalic acid dimethyl ester
- IUPAC
- dimethyl 3-[(3-chlorophenyl)methylamino]benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL2382951ZGWPOYWITLOLSD-UHFFFAOYSA-N3-(3-Chloro-benzylamino)-phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 21040135
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
3 records
Compound notes
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