Basic information
- CAS
82935-27-1- Standard SMILES
CCN1CCCC1CNC(=O)c1c(OC)c(Cl)cc(Br)c1OC- InChIKey
MWGNFOKKFFBHLD-UHFFFAOYSA-N- Molecular formula
- C16H22BrClN2O3
- Average molar mass
- 405.7 g/mol
Names & identifiers
- Preferred name
- Benzamide, 3-bromo-5-chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-
- IUPAC
- 3-bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide
- English name
- 3-bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxy-benz amide
- Molecular formula
- C16H22BrClN2O3
- Molecular weight
- 405.71
Names & synonyms
82935-27-12-((3-Bromo-5-chloro-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine3-Bromo-5-chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrolidinylmethyl)-benzamideBENZAMIDE, 3-BROMO-5-CHLORO-2,6-DIMETHOXY-N-(1-ETHYL-2-PYRROLIDINYLMETHYL)-RefChem:3215353-Bromo-5-chloro-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dimethoxybenzamide3-Bromo-5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamideCHEMBL23621SCHEMBL11168904MWGNFOKKFFBHLD-UHFFFAOYSA-NDTXSID501003006N-Ethyl-2-(3-bromo-5-chloro-2,6-dimethoxybenzamidomethyl) pyrrolidine
Show more names
3-bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxy-benz amideBenzamide, 3-bromo-5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-
3-Bromo-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzene-1-carboximidic acid
Database identifiers
- CAS
82935-27-1- PubChem CID
- 54942
- DTXSID
DTXSID501003006- ChEMBL
CHEMBL23621- Nikkaji
- J68.074E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 124 · 124-125 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- Boiling point
- 435.8 · 435.8±45.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 13.1 · 13.10±0.46(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
2 records
Compound notes
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