Cas no 879274-72-3 (N-(4-fluorophenyl)-2-(hydroxyimino)acetamide)

N-(4-fluorophenyl)-2-(hydroxyimino)acetamide structure

879274-72-3 structure

Product Name:N-(4-fluorophenyl)-2-(hydroxyimino)acetamide

CAS No:879274-72-3

MF:C₈H₇FN₂O₂

MW:182.151785135269

CID:4663605

Update Time:2023-12-05

N-(4-fluorophenyl)-2-(hydroxyimino)acetamide Chemical and Physical Properties

Names and Identifiers

- N-(4-fluorophenyl)-2-(hydroxyimino)acetamide
- 4-Fluoroisonitrosoacetanilide
- 4'-fluoroisonitrosoacetanilide
- N-(4-fluorophenyl)-2-(N-hydroxyimino)acetamide
- (2E)-N-(4-fluorophenyl)-2-hydroxyiminoacetamide
- (2E)-N-(4-fluorophenyl)-2-(hydroxyimino)ethanamide
- N-(4-fluorophenyl)-2-hydroxyiminoacetamide
- (E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide
- 4&#39-Fluoroisonitrosoacetanilide
- STK102490
- (2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide (ACI)
- (E)-N-(4-Fluorophenyl)-2-(hydroxyimino)ethanamide
- Inchi： 1S/C8H7FN2O2/c9-6-1-3-7(4-2-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+
- InChI Key： DXSBFTGUEOWLSD-BJMVGYQFSA-N
- SMILES： N(C1C=CC(F)=CC=1)C(=O)/C=N/O

Computed Properties

Exact Mass: 182.04915563 g/mol
Monoisotopic Mass: 182.04915563 g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 13
Rotatable Bond Count: 2
Complexity: 200
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
Molecular Weight: 182.15
XLogP3: 2.2
Topological Polar Surface Area: 61.7

N-(4-fluorophenyl)-2-(hydroxyimino)acetamide Production Method

Production Method 1

302-17-0

879274-72-3

Reaction Conditions

1.1 Reagents: Hydroxyamine hydrochloride , Hydrochloric acid , Sodium sulfate Solvents: Water ; 2 h, rt → 65 °C

Reference

Rational design and synthesis of 3-morpholine linked aromatic-imino-1H-indoles as novel Kv1.5 channel inhibitors sharing vasodilation effects

Qin, Wei; et al, Frontiers in Molecular Biosciences, 2021, 8,

Production Method 2

302-17-0

879274-72-3

Reaction Conditions

1.1 Reagents: Sodium sulfate Solvents: Water ; rt → 35 °C
1.2 Reagents: Hydroxyamine hydrochloride , Hydrochloric acid Solvents: Water ; 35 °C; 2.5 h, 90 °C; 90 °C → 50 °C

Reference

Discovery, Synthesis, and in vitro Evaluation of West Nile Virus Protease Inhibitors Based on the 9,10-Dihydro-3H,4aH-1,3,9,10a-tetraazaphenanthren-4-one Scaffold

Samanta, Sanjay; et al, ChemMedChem, 2012, 7(7), 1210-1216

Production Method 3

302-17-0

879274-72-3

Reaction Conditions

1.1 Reagents: Hydroxyamine hydrochloride , Hydrochloric acid , Sodium sulfate ; overnight, 45 - 55 °C

Reference

Synthesis, optical and dielectric properties of polyacryloyloxy imino fluorophenyl acetamide and polyacryloyloxy imino fluorophenyl acetamide-co-polystyrene sulfonate

Baseer, Rasha A. ; et al, Journal of Polymer Research, 2022, 29(7),