2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide

C15H15ClN2O2 — CID 1082799

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-7-13(8-11(2)15(10)16)20-9-14(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyWLLGFKGONQFZNH-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 1082799) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID1082799
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-7-13(8-11(2)15(10)16)20-9-14(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyWLLGFKGONQFZNH-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
6-(4-Chloro-3,5-dimethylphenoxy)pyridin-3-amine
CID 2798075
2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 3829743
2-(3-methylphenoxy)-N-(4-pyridinyl)acetamide
CID 814788
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
2-(2,5-dimethylphenoxy)-N-(pyridin-4-yl)acetamide
CID 807261
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 831713
2-(2,6-dimethylphenoxy)-N-(4-pyridinyl)acetamide
CID 838189
2-(4-tert-pentylphenoxy)-N-(4-pyridinyl)acetamide
CID 839550
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide
CID 893207
N-Pyridin-4-yl-2-o-tolyloxy-acetamide
CID 1101312
2-(3-methyl-4-nitrophenoxy)-N-4-pyridinylacetamide
CID 1247033

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide (CID 1082799) is 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide is Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is WLLGFKGONQFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-7-13(8-11(2)15(10)16)20-9-14(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 290.75 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 1082799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).