2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide

C12H15ClN2O3 — CID 9013268

IUPAC2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-15(2)12(17)7-14-11(16)8-18-10-5-3-4-9(13)6-10/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyCVAMFCVKUKJGEV-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.92
Rot. Bonds5

About 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide

2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide (PubChem CID 9013268) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
PubChem CID9013268
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-15(2)12(17)7-14-11(16)8-18-10-5-3-4-9(13)6-10/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyCVAMFCVKUKJGEV-UHFFFAOYSA-N
XLogP0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7858908
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018336
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
CID 62652936

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide (CID 9013268) is 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is CVAMFCVKUKJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-15(2)12(17)7-14-11(16)8-18-10-5-3-4-9(13)6-10/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide?
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 270.72 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 9013268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).