2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide

C17H22ClN3O2 — CID 2970278

IUPAC2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1cc(C(C)NC(=O)COc2ccc(Cl)cc2C)c(C)n1
InChIInChI=1S/C17H22ClN3O2/c1-5-21-9-15(13(4)20-21)12(3)19-17(22)10-23-16-7-6-14(18)8-11(16)2/h6-9,12H,5,10H2,1-4H3,(H,19,22)
InChIKeyVFEISYOJYVZMHZ-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 2970278) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID2970278
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1cc(C(C)NC(=O)COc2ccc(Cl)cc2C)c(C)n1
InChIInChI=1S/C17H22ClN3O2/c1-5-21-9-15(13(4)20-21)12(3)19-17(22)10-23-16-7-6-14(18)8-11(16)2/h6-9,12H,5,10H2,1-4H3,(H,19,22)
InChIKeyVFEISYOJYVZMHZ-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide (CID 2970278) is 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide is CCn1cc(C(C)NC(=O)COc2ccc(Cl)cc2C)c(C)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is VFEISYOJYVZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-5-21-9-15(13(4)20-21)12(3)19-17(22)10-23-16-7-6-14(18)8-11(16)2/h6-9,12H,5,10H2,1-4H3,(H,19,22).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 335.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 2970278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).