N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

C14H13ClN2O3 — CID 9354792

IUPACN-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2cccc[n+]2[O-])c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-10-5-6-12(11(15)8-10)16-13(18)9-20-14-4-2-3-7-17(14)19/h2-8H,9H2,1H3,(H,16,18)
InChIKeyWPZBDOIQMVBXPU-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.30
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (PubChem CID 9354792) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
PubChem CID9354792
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2cccc[n+]2[O-])c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-10-5-6-12(11(15)8-10)16-13(18)9-20-14-4-2-3-7-17(14)19/h2-8H,9H2,1H3,(H,16,18)
InChIKeyWPZBDOIQMVBXPU-UHFFFAOYSA-N
XLogP2.30
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
[2-(2-chloro-4-methylanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823431
N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355707
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (CID 9354792) is N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is Cc1ccc(NC(=O)COc2cccc[n+]2[O-])c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The InChIKey is WPZBDOIQMVBXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-10-5-6-12(11(15)8-10)16-13(18)9-20-14-4-2-3-7-17(14)19/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide has a molecular weight of 292.72 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is sourced from PubChem (CID 9354792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).