Basic information
- CAS
36985-35-0- Standard SMILES
NC1=Nc2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)C1- InChIKey
VRAXKPZRHYDZFB-UHFFFAOYSA-N- Molecular formula
- C16H12F3N3O
- Average molar mass
- 319.28 g/mol
- Monoisotopic mass
- 319.0932465
Names & identifiers
- Preferred name
- 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-
- IUPAC
- 4-amino-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one
- English name
- 4-Amino-1,3-dihydro-1-phenyl-8-(trifluoromethyl)-2H-1,5-benzodiazepin-2-one
- Molecular weight
- 0
Names & synonyms
36985-35-04-amino-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one2H-(1,5)-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-4-AMINO-1-PHENYL-8-(TRIFLUOROMETHYL)-BRN 08954554-Amino-1-phenyl-8-(trifluoromethyl)-2H-1,3-dihydro-(1,5)-benzodiazepin-2-oneDTXSID201904774-Amino-1-phenyl-8-(trifluoromethyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one4-Amino-1,3-dihydro-1-phenyl-8-(trifluoromethyl)-2H-1,5-benzodiazepin-2-one
Database identifiers
- CAS
36985-35-0- PubChem CID
- 37598
- DTXSID
DTXSID20190477- Nikkaji
- J41.262G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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