(2-Amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
Basic information
- CAS
728905-85-9- Standard SMILES
NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1- InChIKey
YMPXNFNCTRYYFP-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO4
- Average molar mass
- 319.74 g/mol
- Monoisotopic mass
- 319.0611356
Names & identifiers
- Preferred name
- (2-Amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
- IUPAC
- (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
Names & synonyms
(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoateMLS001033075CHEMBL1556788DTXSID501324284HMS2708D18AKOS002491700728905-85-9SMR000385450Z190981962-Amino-2-oxoethyl 2-[(4-chlorophenyl)methoxy]benzoate
Database identifiers
- CAS
728905-85-9- PubChem CID
- 2391541
- DTXSID
DTXSID501324284- ChEMBL
CHEMBL1556788
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Solubility7.2 [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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