Basic information
- CAS
63887-01-4- Standard SMILES
O=C(NCCO)c1cc(Br)cc(-c2ccccc2)c1OCCO- InChIKey
AFQKQSFAMSDDFK-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO4
- Average molar mass
- 380.2 g/mol
- Monoisotopic mass
- 379.04192
Names & identifiers
- Preferred name
- Benzamide, 5-bromo-2-(beta-hydroxyethoxy)-N-(beta-hydroxyethyl)-3-phenyl-
- IUPAC
- 5-bromo-2-(2-hydroxyethoxy)-N-(2-hydroxyethyl)-3-phenylbenzamide
- English name
- 5-Bromo-2-(2-hydroxyethoxy)-N-(2-hydroxyethyl)-3-phenylbenzamide
- Molecular formula
- C17H18BrNO4
- Molecular weight
- 380.23
Names & synonyms
63887-01-4BRN 3448645BENZAMIDE, 5-BROMO-2-(beta-HYDROXYETHOXY)-N-(beta-HYDROXYETHYL)-3-PHENYL-DTXSID002134914-10-00-01238 (Beilstein Handbook Reference)5-Bromo-2-(beta-hydroxyethoxy)-N-(beta-hydroxyethyl)-3-phenylbenzamideRefChem:321865DTXCID001359825-bromo-2-(2-hydroxyethoxy)-N-(2-hydroxyethyl)-3-phenylbenzamideDB-3172185-Bromo-2-(2-hydroxyethoxy)-N-(2-hydroxyethyl)[1,1'-biphenyl]-3-carboxamide[1,1'-Biphenyl]-3-carboxamide, 5-bromo-2-(2-hydroxyethoxy)-N-(2-hydroxyethyl)-
Database identifiers
- CAS
63887-01-4- PubChem CID
- 45014
- DTXSID
DTXSID00213491- Nikkaji
- J149.041I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…