Basic information
- CAS
1259143-68-4- Standard SMILES
CC(C)C(NC(=O)c1ccccc1F)C(=O)NCCN1CCc2ccccc2C1- InChIKey
AJHPGJQBQFVESL-UHFFFAOYSA-N- Molecular formula
- C23H28FN3O2
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.21655531
Names & identifiers
- Preferred name
- 2-[(2-fluorophenyl)formamido]-3-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]butanamide
- IUPAC
- N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
Names & synonyms
1259143-68-42-[(2-fluorophenyl)formamido]-3-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]butanamideN-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamideDTXSID001113256AKOS034196741Z333695618Benzamide, N-[1-[[[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl]amino]carbonyl]-2-methylpropyl]-2-fluoro-N-(1-{[2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl)-2-fluorobenzamide
Database identifiers
- CAS
1259143-68-4- PubChem CID
- 51113342
- DTXSID
DTXSID001113256
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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