2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide

C13H12ClN2O2+ — CID 4744106

IUPAC2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc[nH+]c1
InChIInChI=1S/C13H11ClN2O2/c14-10-3-5-12(6-4-10)18-9-13(17)16-11-2-1-7-15-8-11/h1-8H,9H2,(H,16,17)/p+1
InChIKeyOZJHZKCVDFOSNG-UHFFFAOYSA-O
MW263.70 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide

2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide (PubChem CID 4744106) has the molecular formula C13H12ClN2O2+ and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide
PubChem CID4744106
Molecular FormulaC13H12ClN2O2+
Molecular Weight263.70 g/mol
Exact Mass263.06
IUPAC Name2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc[nH+]c1
InChIInChI=1S/C13H11ClN2O2/c14-10-3-5-12(6-4-10)18-9-13(17)16-11-2-1-7-15-8-11/h1-8H,9H2,(H,16,17)/p+1
InChIKeyOZJHZKCVDFOSNG-UHFFFAOYSA-O
XLogP2.17
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-pyridin-1-ium-3-ylacetamide
CID 3658963
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 112505285
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide (CID 4744106) is 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc[nH+]c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide?
The InChIKey is OZJHZKCVDFOSNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11ClN2O2/c14-10-3-5-12(6-4-10)18-9-13(17)16-11-2-1-7-15-8-11/h1-8H,9H2,(H,16,17)/p+1.
What are the key properties of 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide?
2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide has a molecular weight of 263.70 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-pyridin-1-ium-3-ylacetamide is sourced from PubChem (CID 4744106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).