[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
Basic information
- CAS
380214-34-6- Standard SMILES
CN(Cc1ccccc1)C(=O)COC(=O)Cc1ccc(Cl)cc1- InChIKey
RUFYJPMZXIHIQM-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0975211
Names & identifiers
- Preferred name
- [2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
- IUPAC
- [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
Names & synonyms
Enamine_002309[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetateOprea1_579281MLS002249568CHEMBL1878962DTXSID801323978HMS1400I21HMS3082K16AKOS033619642380214-34-6SMR001316996SR-01000031261
Show more names
SR-01000031261-1Z184257112-[Benzyl(methyl)amino]-2-oxoethyl (4-chlorophenyl)acetate
Database identifiers
- CAS
380214-34-6- PubChem CID
- 2356232
- DTXSID
DTXSID801323978- ChEMBL
CHEMBL1878962
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Solubility46.3 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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