Basic information
- CAS
301682-53-1- Standard SMILES
CCN(CC)C(=O)c1c(-c2ccccc2)oc2ccc(O)cc12- InChIKey
JPOMYZLMLHXXPX-UHFFFAOYSA-N- Molecular formula
- C19H19NO3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.13649347
Names & identifiers
- Preferred name
- N,N-diethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxamide
- IUPAC
- N,N-diethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxamide
- English name
- N,N-diethyl-5-hydroxy-2-phenylbenzofuran-3-carboxamide
- Molecular formula
- C19H19NO3
- Molecular weight
- 309.36
Names & synonyms
N,N-diethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxamide301682-53-1N,N-diethyl-5-hydroxy-2-phenylbenzofuran-3-carboxamideCBMicro_002634ChemDiv2_000514Oprea1_073998MLS001206606CHEMBL16058875-Hydroxy-2-phenyl-benzofuran-3-carboxylic acid diethylamideDTXSID501323505HMS1370H08HMS2813C21
Show more names
3-Benzofurancarboxamide, N,N-diethyl-5-hydroxy-2-phenyl-
SMSF0018566STK878796AKOS000531878CB04573SMR000517830BIM-0002858.P001ST50014254SR-01000456716
Database identifiers
- CAS
301682-53-1- PubChem CID
- 707883
- DTXSID
DTXSID501323505- ChEMBL
CHEMBL1605887
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Solubility31.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 526.8 · 526.8±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 8.83 · 8.83±0.40(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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