(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide

C9H9FN2O2 — CID 71492732

IUPAC(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide
SMILESCc1ccc(NC(=O)/C=N/O)cc1F
InChIInChI=1S/C9H9FN2O2/c1-6-2-3-7(4-8(6)10)12-9(13)5-11-14/h2-5,14H,1H3,(H,12,13)/b11-5+
InChIKeyLRRMXJLMFOFDOR-VZUCSPMQSA-N
MW196.18 g/mol
LogP1.53
Rot. Bonds2

About (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide

(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide (PubChem CID 71492732) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide
PubChem CID71492732
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide
SMILESCc1ccc(NC(=O)/C=N/O)cc1F
InChIInChI=1S/C9H9FN2O2/c1-6-2-3-7(4-8(6)10)12-9(13)5-11-14/h2-5,14H,1H3,(H,12,13)/b11-5+
InChIKeyLRRMXJLMFOFDOR-VZUCSPMQSA-N
XLogP1.53
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-hydroxyiminoacetamide
CID 6400930
(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide
CID 142913478
(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 9216038
N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide
CID 84925586
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
methyl 4-[(E)-3-(3-fluoro-4-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 26710628
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(3-fluoro-4-methylphenyl)cyclohexane-1-carboxamide
CID 88600403
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
CID 7585173
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
(3-fluoro-4-methylphenyl)thiourea
CID 7131234

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide (CID 71492732) is (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide is Cc1ccc(NC(=O)/C=N/O)cc1F.
What is the InChIKey of (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide?
The InChIKey is LRRMXJLMFOFDOR-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H9FN2O2/c1-6-2-3-7(4-8(6)10)12-9(13)5-11-14/h2-5,14H,1H3,(H,12,13)/b11-5+.
What are the key properties of (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide?
(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide has a molecular weight of 196.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 71492732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).