2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide
Basic information
- CAS
851721-52-3- Standard SMILES
Cc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1F- InChIKey
SMWKYXQWMUYNMC-UHFFFAOYSA-N- Molecular formula
- C18H19FN2O
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.1481414
Names & identifiers
- Preferred name
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide
- IUPAC
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide
Names & synonyms
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamideMLS000772444CHEMBL1576811DTXSID801322451HMS2769H20AKOS034383357WAY-354053851721-52-3SMR000377133AB00645368-02Z461621772-(3,4-Dihydroisoquinolin-2(1H)-yl)-N-(3-fluoro-4-methylphenyl)acetamide
Database identifiers
- CAS
851721-52-3- PubChem CID
- 2474036
- DTXSID
DTXSID801322451- ChEMBL
CHEMBL1576811
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Solubility23.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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