Basic information
- Standard SMILES
O=C1Nc2ccccc2NC(=O)C1NC(=O)C(F)(F)F- InChIKey
FSFUOLHQAKNUEB-UHFFFAOYSA-N- Molecular formula
- C11H8F3N3O3
- Average molar mass
- 287.19 g/mol
- Monoisotopic mass
- 287.05177561
Names & identifiers
- Preferred name
- N-(2,4-Dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2,2,2-trifluoro-acetamide
- IUPAC
- N-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)-2,2,2-trifluoroacetamide
Names & synonyms
N-(2,4-Dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2,2,2-trifluoro-acetamideSCHEMBL4836773
Database identifiers
- PubChem CID
- 21093563
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Related reactions
3 records
Compound notes
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