2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide

C17H18ClNO3 — CID 9227392

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)NOCc1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-12-8-15(18)9-13(2)17(12)21-11-16(20)19-22-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyWNMLOCFCTMACPW-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide

2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide (PubChem CID 9227392) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide
PubChem CID9227392
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)NOCc1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-12-8-15(18)9-13(2)17(12)21-11-16(20)19-22-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyWNMLOCFCTMACPW-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 166217948
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
2-(4-acetylphenoxy)-N-phenylmethoxyacetamide
CID 26062081
2-(4-chloro-2,6-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 9414673
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxyacetamide
CID 112550753
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
2-(2-methylphenyl)-N-phenylmethoxyacetamide
CID 32578031
2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene
CID 170771215
2-(2,5-dimethylphenyl)-N-phenylmethoxyacetamide
CID 63102778

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide (CID 9227392) is 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide is Cc1cc(Cl)cc(C)c1OCC(=O)NOCc1ccccc1.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide?
The InChIKey is WNMLOCFCTMACPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-8-15(18)9-13(2)17(12)21-11-16(20)19-22-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide?
2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide has a molecular weight of 319.79 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide is sourced from PubChem (CID 9227392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).