N-[2-(3,4-dichlorophenoxy)ethyl]acetamide

C10H11Cl2NO2 — CID 51066305

IUPACN-[2-(3,4-dichlorophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-7(14)13-4-5-15-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyGAFJTQWGUMZFCA-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(3,4-dichlorophenoxy)ethyl]acetamide

N-[2-(3,4-dichlorophenoxy)ethyl]acetamide (PubChem CID 51066305) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenoxy)ethyl]acetamide
PubChem CID51066305
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC NameN-[2-(3,4-dichlorophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-7(14)13-4-5-15-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyGAFJTQWGUMZFCA-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl]acetamide
CID 60632295
N-[2-(4-bromo-3-methylphenoxy)ethyl]acetamide
CID 163375220
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
4-(2-acetamidoethoxy)-2-fluorobenzoic acid
CID 107675500
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
N-[2-(2-methylpyrimidin-5-yl)oxyethyl]acetamide
CID 145197422

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(3,4-dichlorophenoxy)ethyl]acetamide (CID 51066305) is N-[2-(3,4-dichlorophenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenoxy)ethyl]acetamide is CC(=O)NCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenoxy)ethyl]acetamide?
The InChIKey is GAFJTQWGUMZFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-7(14)13-4-5-15-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of N-[2-(3,4-dichlorophenoxy)ethyl]acetamide?
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide has a molecular weight of 248.11 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 51066305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).