N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide

C17H16Cl3NO4 — CID 27894835

IUPACN-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCOc1ccccc1OCCNC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl3NO4/c1-23-14-4-2-3-5-15(14)24-7-6-21-17(22)10-25-16-9-12(19)11(18)8-13(16)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
InChIKeyFRTAWCSKEVGOOS-UHFFFAOYSA-N
MW404.68 g/mol
LogP4.23
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 27894835) has the molecular formula C17H16Cl3NO4 and a molecular weight of 404.68 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID27894835
Molecular FormulaC17H16Cl3NO4
Molecular Weight404.68 g/mol
Exact Mass403.01
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCOc1ccccc1OCCNC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl3NO4/c1-23-14-4-2-3-5-15(14)24-7-6-21-17(22)10-25-16-9-12(19)11(18)8-13(16)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
InChIKeyFRTAWCSKEVGOOS-UHFFFAOYSA-N
XLogP4.23
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
methyl 3-bromo-4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 36942712
2-(2-methoxyphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101132
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108541249
N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 27894835) is N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide is COc1ccccc1OCCNC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is FRTAWCSKEVGOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO4/c1-23-14-4-2-3-5-15(14)24-7-6-21-17(22)10-25-16-9-12(19)11(18)8-13(16)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 404.68 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 27894835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).