5'-Nitro-2'-propoxyacetanilide
Basic information
- CAS
553-20-8- Standard SMILES
CCCOc1ccc([N+](=O)[O-])cc1NC(C)=O- InChIKey
OPTZOXDYEFIPJZ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Overview
Pronilide is an aromatic ether and a C-nitro compound.
Names & identifiers
- Preferred name
- 5'-Nitro-2'-propoxyacetanilide
- IUPAC
- N-(5-nitro-2-propoxyphenyl)acetamide
- English name
- Falimint
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
FalimintN-(5-Nitro-2-propoxyphenyl)acetamide553-20-85'-Nitro-2'-propoxyacetanilideAcetylaminonitropropoxybenzene1-Propoxy-2-acetamino-4-nitrobenzene1-Propoxy-2-acetamino-2-nitrobenzolI26A23734JDTXSID20203819RefChem:100834DTXCID00126310611-256-3
Show more names
N-(2-Propoxy-5-nitrophenyl)acetamideN-(5-nitro-2-propoxy-phenyl)ethanamide
pronilideAcetamide, N-(3-nitro-6-propoxyphenyl)Acetamide, N-(5-nitro-2-propoxyphenyl)-UNII-I26A23734JFalimint (TN)PRONILIDE [WHO-DD]Oprea1_169624SCHEMBL222384
Database identifiers
- CAS
553-20-8- PubChem CID
- 68377
- DTXSID
DTXSID20203819- ChEBI
CHEBI:134968- UNII
- I26A23734J
- EC Number
- 611-256-3
- Nikkaji
- J10.628C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
LogP
1.60
1.6
Melting Point202 - 203 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 102.5 °C · 102.5°C
- Boiling point
- 380.83 °C · 380.83°C (rough estimate)
- Density
- 1.2507 · 1.2507 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 13.61 · 13.61±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 26 A23734J · I26A23734J
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesFalimint is an antipyretic and analgesic compound[1].
Additional notes
DefinitionChEBI: Pronilide is an aromatic ether and a C-nitro compound.
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