2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide

C11H13ClN2O3 — CID 4805018

IUPAC2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C11H13ClN2O3/c1-7-5-8(12)3-4-9(7)17-6-10(15)14-11(16)13-2/h3-5H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCAVWHPMRQSNWRI-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.48
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide (PubChem CID 4805018) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
PubChem CID4805018
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C11H13ClN2O3/c1-7-5-8(12)3-4-9(7)17-6-10(15)14-11(16)13-2/h3-5H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCAVWHPMRQSNWRI-UHFFFAOYSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021109
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
CID 154313785
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide (CID 4805018) is 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide?
The InChIKey is CAVWHPMRQSNWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7-5-8(12)3-4-9(7)17-6-10(15)14-11(16)13-2/h3-5H,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide has a molecular weight of 256.69 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 4805018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).