Basic information
- Standard SMILES
COC(=O)c1ccc(N)c(NCC=Cc2ccc(Cl)cc2)c1- InChIKey
FQUBRTXXKBSNAV-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O2
- Average molar mass
- 316.8 g/mol
Names & identifiers
- Preferred name
- Methyl 4-amino-3-(4-chlorocinnamylamino)benzoate
- IUPAC
- methyl 4-amino-3-[3-(4-chlorophenyl)prop-2-enylamino]benzoate
Names & synonyms
SCHEMBL9483429FQUBRTXXKBSNAV-UHFFFAOYSA-NMethyl 4-amino-3-(4-chlorocinnamylamino)benzoate
Database identifiers
- PubChem CID
- 53813638
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
4 records
Compound notes
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