2,2-Dichloro-N-(1,3-dihydroxy-1-{4-[(1-hydroxyethylidene)amino]phenyl}propan-2-yl)ethanimidic acid
Basic information
- CAS
16803-80-8- Standard SMILES
CC(=O)Nc1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1- InChIKey
FRRJKDWTRVMTOQ-GHMZBOCLSA-N- Molecular formula
- C13H16Cl2N2O4
- Average molar mass
- 335.18 g/mol
- Monoisotopic mass
- 334.0487124
Names & identifiers
- Preferred name
- 2,2-Dichloro-N-(1,3-dihydroxy-1-{4-[(1-hydroxyethylidene)amino]phenyl}propan-2-yl)ethanimidic acid
- IUPAC
- N-[(1R,2R)-1-(4-acetamidophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
Names & synonyms
16803-80-8DTXSID009374282,2-Dichloro-N-(1,3-dihydroxy-1-{4-[(1-hydroxyethylidene)amino]phenyl}propan-2-yl)ethanimidic acidAcetanilide, 4'-(2-(2,2-dichloroacetamido)-1,3-dihydroxypropyl)-, D-threo-(-)-Dichloro-N-[(1R,2R)-1,3-dihydroxy-1-{4-[(1-hydroxyethylidene)amino]phenyl}propan-2-yl]ethanimidic acid
Database identifiers
- CAS
16803-80-8- PubChem CID
- 190216
- DTXSID
DTXSID00937428
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…