N-(4-Ethoxyphenyl)-3-(4-fluorophenyl)-2-propenamide
Basic information
- CAS
853347-64-5- Standard SMILES
CCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1- InChIKey
CCYDRVQORPGDRH-LFYBBSHMSA-N- Molecular formula
- C17H16FNO2
- Average molar mass
- 285.31 g/mol
- Monoisotopic mass
- 285.11650692
Names & identifiers
- Preferred name
- N-(4-Ethoxyphenyl)-3-(4-fluorophenyl)-2-propenamide
- IUPAC
- (E)-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
- English name
- (E)-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)acrylamide
- Molecular formula
- C17H16FNO2
- Molecular weight
- 285.31
Names & synonyms
853347-64-5N-(4-ETHOXYPHENYL)-3-(4-FLUOROPHENYL)-2-PROPENAMIDERefChem:827564662-493-4(2E)-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide(E)-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)acrylamide(E)-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamideSMSF0014777STK949773AKOS002187491CB07862BIM-0005487.P001
Show more names
2-Propenamide, N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-, (2E)-
ST50078672VU0488708-1SR-01000228796SR-01000228796-1F0708-04566135-48-4
Database identifiers
- CAS
853347-64-5- PubChem CID
- 874783
- EC Number
- 662-493-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Boiling point
- 473.9 · 473.9±45.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 12.55 · 12.55±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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