N~3~-(tert-butyl)-N~2~-(3-chlorophenyl)-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide
Basic information
- CAS
318517-16-7- Standard SMILES
CC(C)(C)NC(=O)C1Cc2ccccc2CN1C(=O)Nc1cccc(Cl)c1- InChIKey
UYWCDCYJWXJGDW-UHFFFAOYSA-N- Molecular formula
- C21H24ClN3O2
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.1557047
Names & identifiers
- Preferred name
- N~3~-(tert-butyl)-N~2~-(3-chlorophenyl)-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide
- IUPAC
- 3-N-tert-butyl-2-N-(3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
Names & synonyms
318517-16-7N~3~-(tert-butyl)-N~2~-(3-chlorophenyl)-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamideN3-tert-butyl-N2-(3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide3-N-tert-butyl-2-N-(3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamideSMR000179048Bionet1_003097Oprea1_875381MLS000326516CHEMBL1358957HMS577G19DTXSID701123965HMS2167A24
Show more names
HMS3320M03MFCD01316079AKOS0050939125N-712N~3~-tert-Butyl-N~2~-(3-chlorophenyl)-3,4-dihydroisoquinoline-2,3(1H)-dicarboxamideN2-(3-Chlorophenyl)-N3-(1,1-dimethylethyl)-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamideN3-(tert-butyl)-N2-(3-chlorophenyl)-3,4-dihydroisoquinoline-2,3(1H)-dicarboxamideN3-tert-butyl-N2-(3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
Database identifiers
- CAS
318517-16-7- PubChem CID
- 3701022
- DTXSID
DTXSID701123965- ChEMBL
CHEMBL1358957
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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