N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
Basic information
- CAS
301842-29-5- Standard SMILES
CC(NC(=O)c1ccc(Br)o1)C1CC2CCC1C2- InChIKey
OSTCUPUZPHLOBB-UHFFFAOYSA-N- Molecular formula
- C14H18BrNO2
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 311.05209
Names & identifiers
- Preferred name
- N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
- IUPAC
- N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
Names & synonyms
301842-29-5N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamideN-[1-(Bicyclo[2.2.1]heptan-2-yl)ethyl]-5-bromofuran-2-carboxamideEnamine_000575Oprea1_022744Oprea1_092177MLS001125916CHEMBL1575141DTXSID501329589HMS1395K03HMS2999A20STK433102
Show more names
AKOS001012503AKOS016600483SMR000665506ST50923203AK-968/12864923SR-01000257294SR-01000257294-1Z32090853
Database identifiers
- CAS
301842-29-5- PubChem CID
- 2932972
- DTXSID
DTXSID501329589- ChEMBL
CHEMBL1575141
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility29.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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