N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

C15H15ClN2O3 — CID 9354911

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESO=C(COc1cccc[n+]1[O-])NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3/c16-13-6-4-12(5-7-13)8-9-17-14(19)11-21-15-3-1-2-10-18(15)20/h1-7,10H,8-9,11H2,(H,17,19)
InChIKeyXBZPQDJOEHHDOO-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.71
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (PubChem CID 9354911) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
PubChem CID9354911
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESO=C(COc1cccc[n+]1[O-])NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3/c16-13-6-4-12(5-7-13)8-9-17-14(19)11-21-15-3-1-2-10-18(15)20/h1-7,10H,8-9,11H2,(H,17,19)
InChIKeyXBZPQDJOEHHDOO-UHFFFAOYSA-N
XLogP1.71
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.71
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'}

Analyze N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7803090
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2624513
N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide
CID 110678230
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 8859529
N-[2-(4-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2691003
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (CID 9354911) is N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is O=C(COc1cccc[n+]1[O-])NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The InChIKey is XBZPQDJOEHHDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-13-6-4-12(5-7-13)8-9-17-14(19)11-21-15-3-1-2-10-18(15)20/h1-7,10H,8-9,11H2,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide has a molecular weight of 306.75 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is sourced from PubChem (CID 9354911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).