2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide

C15H15ClN2O2 — CID 831609

IUPAC2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)NCc2ccncc2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-11-8-13(2-3-14(11)16)20-10-15(19)18-9-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyKTWHAXAXBNECBJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 831609) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID831609
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)NCc2ccncc2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-11-8-13(2-3-14(11)16)20-10-15(19)18-9-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyKTWHAXAXBNECBJ-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide (CID 831609) is 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide is Cc1cc(OCC(=O)NCc2ccncc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is KTWHAXAXBNECBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11-8-13(2-3-14(11)16)20-10-15(19)18-9-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 290.75 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 831609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).