N-(2-Amino-2-oxoethyl)-3-chlorobenzamide
Basic information
- CAS
329695-26-3- Standard SMILES
NC(=O)CNC(=O)c1cccc(Cl)c1- InChIKey
LRLKXLXJBDTNRH-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O2
- Average molar mass
- 212.63 g/mol
- Monoisotopic mass
- 212.0352552
Names & identifiers
- Preferred name
- N-(2-Amino-2-oxoethyl)-3-chlorobenzamide
- IUPAC
- N-(2-amino-2-oxoethyl)-3-chlorobenzamide
Names & synonyms
N-(2-amino-2-oxoethyl)-3-chlorobenzamide329695-26-3RefChem:360414TimTec1_005231Oprea1_703207MLS000861512CHEMBL1560585SCHEMBL13331944DTXSID701277304HMS1548N17HMS2777J18CCG-47858
Show more names
AKOS008937554SMR000460296N1-(2-amino-2-oxoethyl)-3-chlorobenzamideH87484SR-01000637449-1
Database identifiers
- CAS
329695-26-3- PubChem CID
- 676589
- DTXSID
DTXSID701277304- ChEMBL
CHEMBL1560585
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Solubility>31.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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