Basic information
- CAS
2285-16-7- Standard SMILES
O=C1CN=C(c2ccccc2)c2cc(C(F)(F)F)ccc2N1- InChIKey
UUBMOUNXQFMBQF-UHFFFAOYSA-N- Molecular formula
- C16H11F3N2O
- Average molar mass
- 304.27 g/mol
- Monoisotopic mass
- 304.08234746
Names & identifiers
- Preferred name
- 1,3-Dihydro-5-phenyl-7-(trifluoromethyl)-2H-1,4-benzodiazepin-2-one
- IUPAC
- 5-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
- English name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-phenyl-7-(trifluoromethyl)-
- Molecular formula
- C16H11F3N2O
- Molecular weight
- 304.27
Names & synonyms
2285-16-7DTXSID701773941,3-Dihydro-5-phenyl-7-(trifluoromethyl)-2H-1,4-benzodiazepin-2-oneRefChem:1052847DTXCID8099885Triflunordazepam2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-5-PHENYL-7-(TRIFLUOROMETHYL)-Ro5-29045-phenyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one8CS486VL3DRO-052904Ro 5-2904
Show more names
Ro-5-2904
BRN 0758865Ro-05-29041,3-Dihydro-5-phenyl-7-trifluoromethyl-2H-1,4-benzodiazepin-2-oneUNII-8CS486VL3D5-24-04-00415 (Beilstein Handbook Reference)CHEMBL13039SCHEMBL7322754UUBMOUNXQFMBQF-UHFFFAOYSA-N
Database identifiers
- CAS
2285-16-7- PubChem CID
- 16795
- DTXSID
DTXSID70177394- ChEMBL
CHEMBL13039- UNII
- 8CS486VL3D
- Nikkaji
- J41.263E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
LogP3.1
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 CS486VL3D · 8CS486VL3D
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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