2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide

C17H17Cl2NO3 — CID 46449388

IUPAC2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
SMILESCOc1cccc(OCCNC(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-22-12-4-2-5-13(10-12)23-9-8-20-17(21)11-14-15(18)6-3-7-16(14)19/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyDXOQHUBLQWDJCC-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.74
Rot. Bonds7

About 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide

2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide (PubChem CID 46449388) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
PubChem CID46449388
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
SMILESCOc1cccc(OCCNC(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-22-12-4-2-5-13(10-12)23-9-8-20-17(21)11-14-15(18)6-3-7-16(14)19/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyDXOQHUBLQWDJCC-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 146022701
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 55831044
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide (CID 46449388) is 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide is COc1cccc(OCCNC(=O)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide?
The InChIKey is DXOQHUBLQWDJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-22-12-4-2-5-13(10-12)23-9-8-20-17(21)11-14-15(18)6-3-7-16(14)19/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide?
2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide has a molecular weight of 354.23 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 46449388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).