Basic information
- CAS
784184-05-0- Standard SMILES
O=C(COC(=O)c1ccc(F)cc1)NCCCc1ccccc1- InChIKey
SVRYXYDGNBNNNP-UHFFFAOYSA-N- Molecular formula
- C18H18FNO3
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.1270716
Names & identifiers
- Preferred name
- [2-Oxo-2-(3-phenylpropylamino)ethyl] 4-fluorobenzoate
- IUPAC
- [2-oxo-2-(3-phenylpropylamino)ethyl] 4-fluorobenzoate
Names & synonyms
[2-oxo-2-(3-phenylpropylamino)ethyl] 4-fluorobenzoateMLS001177541CHEMBL1705374DTXSID501326878HMS2869C14AKOS033700882784184-05-0SMR000588602AB00726971-01Z196960062-Oxo-2-[(3-phenylpropyl)amino]ethyl 4-fluorobenzoate
Database identifiers
- CAS
784184-05-0- PubChem CID
- 3945202
- DTXSID
DTXSID501326878- ChEMBL
CHEMBL1705374
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
Solubility5.9 [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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