N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide

C15H15ClN2O2 — CID 842951

IUPACN-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cn2)c(C)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-5-13(11(2)7-10)20-9-15(19)18-14-6-4-12(16)8-17-14/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyGZDHYQHXABNSLU-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.37
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide

N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 842951) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID842951
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cn2)c(C)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-5-13(11(2)7-10)20-9-15(19)18-14-6-4-12(16)8-17-14/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyGZDHYQHXABNSLU-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide (CID 842951) is N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)cn2)c(C)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is GZDHYQHXABNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-3-5-13(11(2)7-10)20-9-15(19)18-14-6-4-12(16)8-17-14/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide 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 N-(5-chloro-2-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 842951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).