2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide

C16H17ClN2O2 — CID 740907

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-4-5-18-14(6-10)19-15(20)9-21-13-7-11(2)16(17)12(3)8-13/h4-8H,9H2,1-3H3,(H,18,19,20)
InChIKeyQIXGIEOYVQLWPA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.68
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 740907) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID740907
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-4-5-18-14(6-10)19-15(20)9-21-13-7-11(2)16(17)12(3)8-13/h4-8H,9H2,1-3H3,(H,18,19,20)
InChIKeyQIXGIEOYVQLWPA-UHFFFAOYSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide (CID 740907) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is QIXGIEOYVQLWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-4-5-18-14(6-10)19-15(20)9-21-13-7-11(2)16(17)12(3)8-13/h4-8H,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.68, 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-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 740907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).