Basic information
- CAS
1536861-99-0- Standard SMILES
NCCNC(=O)CCN1C(=O)CNc2cc(F)c(F)cc21- InChIKey
IGKMDZJFERXBPO-UHFFFAOYSA-N- Molecular formula
- C13H16F2N4O2
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.12413209
Names & identifiers
- Preferred name
- 1(2H)-Quinoxalinepropanamide, N-(2-aminoethyl)-6,7-difluoro-3,4-dihydro-2-oxo-
- IUPAC
- N-(2-aminoethyl)-3-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)propanamide
Names & synonyms
DTXSID9011385861(2H)-Quinoxalinepropanamide, N-(2-aminoethyl)-6,7-difluoro-3,4-dihydro-2-oxo-N-(2-Aminoethyl)-3-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1(2H)-yl)propanamide1536861-99-0
Database identifiers
- CAS
1536861-99-0- PubChem CID
- 83508301
- DTXSID
DTXSID901138586
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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