N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
Basic information
- CAS
301228-23-9- Standard SMILES
O=C(NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1- InChIKey
XKCPJXSGCGSDHR-UHFFFAOYSA-N- Molecular formula
- C16H14FN3O
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.11209024
Names & identifiers
- Preferred name
- N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
- IUPAC
- N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
- English name
- N-[2-(1H-Benzimidazol-2-yl)ethyl]-4-fluorobenzamide
- Molecular formula
- C16H14FN3O
- Molecular weight
- 283.3
Names & synonyms
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide301228-23-9N-(2-benzimidazol-2-ylethyl)(4-fluorophenyl)carboxamideZINC00146650Oprea1_148529Oprea1_358293MLS000061615CHEMBL1347239HMS1677M07HMS2441E23SBB046221STL300404
Show more names
AURORA 5483Benzamide, N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluoro-
AKOS000275739SMR000069945ST50004449SR-01000408622SR-01000408622-1N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-4-fluorobenzamide
Database identifiers
- CAS
301228-23-9- PubChem CID
- 732397
- ChEMBL
CHEMBL1347239- EC Number
- 882-963-4
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 574.4 · 574.4±35.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- pka
- 11.77 · 11.77±0.10(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
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
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Compound notes
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