N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

C13H11ClN2O3 — CID 9354796

IUPACN-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESO=C(COc1cccc[n+]1[O-])Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c14-10-4-3-5-11(8-10)15-12(17)9-19-13-6-1-2-7-16(13)18/h1-8H,9H2,(H,15,17)
InChIKeyRULDYEXMXTYGOR-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.99
Rot. Bonds4

About N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (PubChem CID 9354796) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
PubChem CID9354796
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC NameN-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESO=C(COc1cccc[n+]1[O-])Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c14-10-4-3-5-11(8-10)15-12(17)9-19-13-6-1-2-7-16(13)18/h1-8H,9H2,(H,15,17)
InChIKeyRULDYEXMXTYGOR-UHFFFAOYSA-N
XLogP1.99
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.99
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

2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
N-(2-chloro-4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354792
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
N-(3-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 17173171
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 114320702
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-(3-chlorophenyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364131
N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 19177306
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (CID 9354796) is N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is O=C(COc1cccc[n+]1[O-])Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The InChIKey is RULDYEXMXTYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-10-4-3-5-11(8-10)15-12(17)9-19-13-6-1-2-7-16(13)18/h1-8H,9H2,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide has a molecular weight of 278.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is sourced from PubChem (CID 9354796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).