Basic information
- Standard SMILES
C#CCOc1cc(NC(=O)C2NCC3CC32)c(F)cc1Cl- InChIKey
AFYGMMJYYUTXLY-UHFFFAOYSA-N- Molecular formula
- C15H14ClFN2O2
- Average molar mass
- 308.73 g/mol
- Monoisotopic mass
- 308.0727835
Names & identifiers
- Preferred name
- N-[4-chloro-2-fluoro-5-(2-propynyloxy)phenyl]-3-azabicyclo-[3.1.0]hexane-2-carboxamide
- IUPAC
- N-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
Names & synonyms
SCHEMBL8917280AFYGMMJYYUTXLY-UHFFFAOYSA-NN-[4-chloro-2-fluoro-5-(2-propynyloxy)phenyl]-3-azabicyclo-[3.1.0]hexane-2-carboxamide
Database identifiers
- PubChem CID
- 21462365
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
1 records
Compound notes
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