Basic information
- CAS
311329-40-5- Standard SMILES
Cc1ccnc(NC(=O)c2cc3ccccc3o2)c1- InChIKey
VRLUFVILLNQFSJ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
- IUPAC
- N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
Names & synonyms
N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide311329-40-5N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamideCBMicro_035005Oprea1_056702MLS001099227CHEMBL1516047DTXSID401322011HMS3025F21STK330245AKOS001462175SMR000711199
Show more names
BIM-0034902.P001AG-205/11115014SR-01000515460SR-01000515460-1Z71389275
Database identifiers
- CAS
311329-40-5- PubChem CID
- 2872083
- DTXSID
DTXSID401322011- ChEMBL
CHEMBL1516047
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Experimental & physicochemical properties
Solubility12.9 [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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