N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetamide
Basic information
- CAS
49715-59-5- Standard SMILES
O=C(Cc1cc2c(cc1Br)OCO2)NCCc1ccc2c(c1)OCO2- InChIKey
KLXRUBVJDFBFGJ-UHFFFAOYSA-N- Molecular formula
- C18H16BrNO5
- Average molar mass
- 406.2 g/mol
- Monoisotopic mass
- 405.02119
Names & identifiers
- Preferred name
- N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetamide
- IUPAC
- N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-bromo-1,3-benzodioxol-5-yl)acetamide
Names & synonyms
49715-59-5N-(2-BENZO[1,3]DIOXOL-5-YLETHYL)-2-(6-BROMOBENZO[1,3]DIOXOL-5-YL)ACETAMIDENSC279538N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-bromo-1,3-benzodioxol-5-yl)acetamideN-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetamideDTXSID50314003AKOS024325563NSC-279538DS-001802AE-508/36400030
Database identifiers
- CAS
49715-59-5- PubChem CID
- 322378
- DTXSID
DTXSID50314003
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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