2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide

C14H13ClN2O2 — CID 2225343

IUPAC2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H13ClN2O2/c1-10-4-5-12(15)13(7-10)19-9-14(18)17-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyOUHSCCMQTJILEN-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.06
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide

2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide (PubChem CID 2225343) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide
PubChem CID2225343
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H13ClN2O2/c1-10-4-5-12(15)13(7-10)19-9-14(18)17-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyOUHSCCMQTJILEN-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide (CID 2225343) is 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide is Cc1ccc(Cl)c(OCC(=O)Nc2cccnc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide?
The InChIKey is OUHSCCMQTJILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-10-4-5-12(15)13(7-10)19-9-14(18)17-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide?
2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide has a molecular weight of 276.72 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2225343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).