2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide

C17H18ClNO2 — CID 833462

IUPAC2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-3-19(15-7-5-4-6-8-15)17(20)12-21-16-10-9-14(18)11-13(16)2/h4-11H,3,12H2,1-2H3
InChIKeyOJACIUZKCFKSPA-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide

2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide (PubChem CID 833462) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide
PubChem CID833462
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-3-19(15-7-5-4-6-8-15)17(20)12-21-16-10-9-14(18)11-13(16)2/h4-11H,3,12H2,1-2H3
InChIKeyOJACIUZKCFKSPA-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide (CID 833462) is 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide is CCN(C(=O)COc1ccc(Cl)cc1C)c1ccccc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide?
The InChIKey is OJACIUZKCFKSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-19(15-7-5-4-6-8-15)17(20)12-21-16-10-9-14(18)11-13(16)2/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide?
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide has a molecular weight of 303.79 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 833462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).