[2-(Furan-2-ylmethylamino)-2-oxoethyl] 3,5-dichlorobenzoate
Basic information
- CAS
387362-11-0- Standard SMILES
O=C(COC(=O)c1cc(Cl)cc(Cl)c1)NCc1ccco1- InChIKey
HDHILLYXHBKSLT-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2NO4
- Average molar mass
- 328.1 g/mol
- Monoisotopic mass
- 327.0065132
Names & identifiers
- Preferred name
- [2-(Furan-2-ylmethylamino)-2-oxoethyl] 3,5-dichlorobenzoate
- IUPAC
- [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dichlorobenzoate
Names & synonyms
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dichlorobenzoateMLS002251660CHEMBL1552253DTXSID301330770HMS3068E12AKOS033617182387362-11-0SMR001314048Z184038742-{[(Furan-2-yl)methyl]amino}-2-oxoethyl 3,5-dichlorobenzoate
Database identifiers
- CAS
387362-11-0- PubChem CID
- 2391491
- DTXSID
DTXSID301330770- ChEMBL
CHEMBL1552253
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Experimental & physicochemical properties
Solubility28.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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