Benzofuran-2-carboxylic acid (4-amino-2-methoxy-phenyl)-amide
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Basic information
- CAS
335210-03-2- Standard SMILES
COc1cc(N)ccc1NC(=O)c1cc2ccccc2o1- InChIKey
KONPKGRNCLCEDI-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- Benzofuran-2-carboxylic acid (4-amino-2-methoxy-phenyl)-amide
- IUPAC
- N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamide
- English name
- BENZOFURAN-2-CARBOXYLIC ACID (4-AMINO-2-METHOXY-PHENYL)-AMIDE
- Molecular formula
- C16H14N2O3
- Molecular weight
- 282.29
Names & synonyms
335210-03-2Benzofuran-2-carboxylic acid (4-amino-2-methoxy-phenyl)-amideDTXSID60350194RefChem:326477DTXCID80301264N-(4-amino-2-methoxyphenyl)-1-benzofuran-2-carboxamideN-(4-amino-2-methoxyphenyl)benzofuran-2-carboxamideMFCD022580292-Benzofurancarboxamide, N-(4-amino-2-methoxyphenyl)-N-(4-amino-2-methoxyphenyl)benzo[d]furan-2-ylcarboxamideOprea1_232585Oprea1_414341
Show more names
AKOS BB-8139BAS 02759883SMR000517809ZINC00038191ASISCHEM T31137TIMTEC-BB SBB007313
MLS001203408CHEMBL1485202HMS2824G14ALBB-026791BBL000236SBB007313STK046824AKOS000108292
Database identifiers
- CAS
335210-03-2- PubChem CID
- 675397
- DTXSID
DTXSID60350194- ChEMBL
CHEMBL1485202
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Solubility>42.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 404.2 · 404.2±40.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 11.9 · 11.90±0.70(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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