2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

C16H17ClN2O2 — CID 78838349

IUPAC2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C16H17ClN2O2/c1-10-8-11(2)18-12(3)16(10)19-15(20)9-21-14-6-4-13(17)5-7-14/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyRGZGADHCXPDSGV-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.68
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (PubChem CID 78838349) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
PubChem CID78838349
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C16H17ClN2O2/c1-10-8-11(2)18-12(3)16(10)19-15(20)9-21-14-6-4-13(17)5-7-14/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyRGZGADHCXPDSGV-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-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (CID 78838349) is 2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The InChIKey is RGZGADHCXPDSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-8-11(2)18-12(3)16(10)19-15(20)9-21-14-6-4-13(17)5-7-14/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
2-(4-chlorophenoxy)-N-(2,4,6-trimethyl-3-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-chlorophenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is sourced from PubChem (CID 78838349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).