N-(2-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
Basic information
- CAS
6828-20-2- Standard SMILES
COc1ccc(C2C(C(=O)Nc3ccc(F)cc3Cl)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1- InChIKey
HUJQDZYJHWSKJX-UHFFFAOYSA-N- Molecular formula
- C30H23ClF2N2O3
- Average molar mass
- 533 g/mol
- Monoisotopic mass
- 532.1365266
Names & identifiers
- Preferred name
- N-(2-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
- IUPAC
- N-(2-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
Names & synonyms
6828-20-2N-(2-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamideN-(2-Chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamideDTXSID30411524AKOS001750868AKOS021661187SR-01000549412SR-01000549412-1
Database identifiers
- CAS
6828-20-2- PubChem CID
- 5227260
- DTXSID
DTXSID30411524
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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