2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide

C12H16ClNO2 — CID 808117

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C12H16ClNO2/c1-4-14-11(15)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyHWVALRBUTGIXHZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide (PubChem CID 808117) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide
PubChem CID808117
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C12H16ClNO2/c1-4-14-11(15)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyHWVALRBUTGIXHZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
2-(4-Chloro-3,5-dimethylphenoxy)acetohydrazide
CID 692251
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 753655
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide
CID 4843615
2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692214
2-(4-Chloro-3-methylphenoxy)acetamide
CID 244052
2-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylacetamide
CID 2466241
2-(3,5-dimethylphenoxy)-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 650107
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 654862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide (CID 808117) is 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide is CCNC(=O)COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide?
The InChIKey is HWVALRBUTGIXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-14-11(15)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide has a molecular weight of 241.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 808117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).