N-(1,3-benzodioxol-5-yl)-3-methoxybenzamide
Basic information
- CAS
5687-68-3- Standard SMILES
COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1- InChIKey
NMFSAKGSFRGUPY-UHFFFAOYSA-N- Molecular formula
- C15H13NO4
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.0844579
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-yl)-3-methoxybenzamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-3-methoxybenzamide
Names & synonyms
N-(1,3-benzodioxol-5-yl)-3-methoxybenzamide5687-68-3N-Benzo[1,3]dioxol-5-yl-3-methoxy-benzamideZINC290297CBMicro_028175Oprea1_149559Oprea1_419978DTXSID60355043MFCD01152940STK050202ZINC00290297AKOS000595320
Show more names
COc1cccc(c1)C(=O)Nc1ccc2c(c1)OCO2BENZAMIDEN13BENZODIOXOL5YL3METHOXYBIM-0028201.P001ZINC000000290297N(13BENZODIOXOL5YL)3METHOXYBENZAMIDENBENZO(13)DIOXOL5YL3METHOXYBENZAMIDEAG-670/34983012SR-03000002494
Database identifiers
- CAS
5687-68-3- PubChem CID
- 790104
- DTXSID
DTXSID60355043
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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