Basic information
- CAS
36985-33-8- Standard SMILES
NC1=Nc2ccc(Cl)cc2N(c2ccccc2)C(=O)C1- InChIKey
DNEJXIPLCRHMSL-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O
- Average molar mass
- 285.73 g/mol
- Monoisotopic mass
- 285.0668897
Names & identifiers
- Preferred name
- 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-8-chloro-1-phenyl-
- IUPAC
- 4-amino-8-chloro-1-phenyl-3H-1,5-benzodiazepin-2-one
- English name
- 4-Amino-8-chloro-1,3-dihydro-1-phenyl-2H-1,5-benzodiazepin-2-one
- Molecular weight
- 0
Names & synonyms
BRN 054298436985-33-82H-(1,5)-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-4-AMINO-8-CHLORO-1-PHENYL-4-Amino-8-chloro-1-phenyl-2H-1,3-dihydro-(1,5)-benzodiazepin-2-oneDTXSID001904755-25-15-00092 (Beilstein Handbook Reference)RefChem:267599DTXCID101129664-amino-8-chloro-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one4-Amino-8-chloro-1,3-dihydro-1-phenyl-2H-1,5-benzodiazepin-2-one
Database identifiers
- CAS
36985-33-8- PubChem CID
- 37596
- DTXSID
DTXSID00190475- Nikkaji
- J41.265A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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