N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
Basic information
- CAS
302583-11-5- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1- InChIKey
FHGCOKNNILZYEC-UHFFFAOYSA-N- Molecular formula
- C16H10F3NO2
- Average molar mass
- 305.25 g/mol
- Monoisotopic mass
- 305.06636305
Names & identifiers
- Preferred name
- N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
- IUPAC
- N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
- English name
- N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
- Molecular formula
- C16H10F3NO2
- Molecular weight
- 305.25
Names & synonyms
N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide302583-11-5N-(3-(trifluoromethyl)phenyl)benzofuran-2-carboxamideN-[3-(trifluoromethyl)phenyl]benzofuran-2-carboxamideCHEMBL3427423HMS1609I09STL296147AKOS000519941ST029977CS-0320497EU-00026967E-934
Show more names
2-Benzofurancarboxamide, N-[3-(trifluoromethyl)phenyl]-BENZOFURAN-2-CARBOXYLIC ACID (3-TRIFLUOROMETHYL-PHENYL)-AMIDE
SR-01000410602SR-01000410602-1Z28169744benzo[d]furan-2-yl-N-[3-(trifluoromethyl)phenyl]carboxamide
Database identifiers
- CAS
302583-11-5- PubChem CID
- 725652
- ChEMBL
CHEMBL3427423- EC Number
- 161-887-9
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 312.3 · 312.3±42.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- pka
- 12.35 · 12.35±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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