Basic information
- Standard SMILES
Cc1cc2c(cc1Cl)NC(=O)CN=C2c1ccccc1F- InChIKey
GANKBGRUGXCJBG-UHFFFAOYSA-N- Molecular formula
- C16H12ClFN2O
- Average molar mass
- 302.73 g/mol
- Monoisotopic mass
- 302.0622189
Names & identifiers
- Preferred name
- 8-Chloro-5-(2-fluoro-phenyl)-7-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
- IUPAC
- 8-chloro-5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
CHEMBL356411DTXSID101337051BDBM50040702Ro-208552Ro20-8552Ro-20-85528-Chloro-5-(2-fluoro-phenyl)-7-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 44366138
- DTXSID
DTXSID101337051- ChEMBL
CHEMBL356411- Nikkaji
- J580.472H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…