Basic information
- CAS
20119-29-3- Standard SMILES
CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O- InChIKey
OFLVUPBFIQKJIE-UHFFFAOYSA-N- Molecular formula
- C20H14N2O3
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.10044231
Names & identifiers
- Preferred name
- N-(2,3-Dihydro-1,3-dioxo-2-phenyl-1H-benz(de)isoquinolin-6-yl)acetamide
- IUPAC
- N-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamide
Names & synonyms
20119-29-3N-(2,3-Dihydro-1,3-dioxo-2-phenyl-1H-benz[de]isoquinolin-6-yl)acetamideN-(2,3-Dihydro-1,3-dioxo-2-phenyl-1H-benz(de)isoquinolin-6-yl)acetamideRefChem:360077N-(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)acetamideN-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)acetamideOprea1_273994Oprea1_767818MLS000712242CHEMBL1454701SCHEMBL28655617DTXSID501152057
Show more names
HMS2685E21AKOS000635386SMR000282009ST50218599AG-690/36720001SR-01000313372SR-01000313372-1
Database identifiers
- CAS
20119-29-3- PubChem CID
- 739740
- DTXSID
DTXSID501152057- ChEMBL
CHEMBL1454701- Nikkaji
- J973.074E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 569
Experimental & physicochemical properties
Solubility2.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…