N-(4-fluorophenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxamide
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Basic information
- Standard SMILES
CC12CC(c3ccccc3O1)C(C(=O)Nc1ccc(F)cc1)C(=O)N2- InChIKey
FCBIKCZIAHKSLY-UHFFFAOYSA-N- Molecular formula
- C19H17FN2O3
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.12232057
Names & identifiers
- Preferred name
- N-(4-fluorophenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxamide
- IUPAC
- N-(4-fluorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
Names & synonyms
1005158-95-1N-(4-fluorophenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxamideN-(4-fluorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-12-carboxamideN-(4-Fluorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamideNSC709561CHEMBL1980920AKOS024510758NSC-709561NCI60_038649VU0644940-1SR-01000922730SR-01000922730-1
Show more names
F5489-0346
Database identifiers
- PubChem CID
- 399142
- ChEMBL
CHEMBL1980920
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 549
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Compound notes
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