2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide

C17H19ClN2O2 — CID 2957131

IUPAC2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-3-12(2)13-4-7-15(8-5-13)22-11-17(21)20-16-9-6-14(18)10-19-16/h4-10,12H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyPZCMOJMMZICNLM-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide

2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 2957131) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID2957131
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-3-12(2)13-4-7-15(8-5-13)22-11-17(21)20-16-9-6-14(18)10-19-16/h4-10,12H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyPZCMOJMMZICNLM-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide (CID 2957131) is 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is PZCMOJMMZICNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-12(2)13-4-7-15(8-5-13)22-11-17(21)20-16-9-6-14(18)10-19-16/h4-10,12H,3,11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 318.80 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 2957131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).