2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide

C14H13ClN2O2 — CID 823402

IUPAC2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccncc1
InChIInChI=1S/C14H13ClN2O2/c1-10-8-11(15)2-3-13(10)19-9-14(18)17-12-4-6-16-7-5-12/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyKIHTZZMHWFWTOK-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide

2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 823402) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID823402
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccncc1
InChIInChI=1S/C14H13ClN2O2/c1-10-8-11(15)2-3-13(10)19-9-14(18)17-12-4-6-16-7-5-12/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyKIHTZZMHWFWTOK-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-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide (CID 823402) is 2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccncc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is KIHTZZMHWFWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-10-8-11(15)2-3-13(10)19-9-14(18)17-12-4-6-16-7-5-12/h2-8H,9H2,1H3,(H,16,17,18).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide?
2-(4-chloro-2-methylphenoxy)-N-pyridin-4-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-(4-chloro-2-methylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 823402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).