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

C16H14Cl2FNO3 — CID 30865814

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCOc1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNO3/c17-11-1-6-15(14(18)9-11)23-10-16(21)20-7-8-22-13-4-2-12(19)3-5-13/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyZPRHBTKEZYEPBD-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.71
Rot. Bonds7

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

2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide (PubChem CID 30865814) has the molecular formula C16H14Cl2FNO3 and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide
PubChem CID30865814
Molecular FormulaC16H14Cl2FNO3
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCOc1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNO3/c17-11-1-6-15(14(18)9-11)23-10-16(21)20-7-8-22-13-4-2-12(19)3-5-13/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyZPRHBTKEZYEPBD-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide (CID 30865814) is 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCOc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The InChIKey is ZPRHBTKEZYEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO3/c17-11-1-6-15(14(18)9-11)23-10-16(21)20-7-8-22-13-4-2-12(19)3-5-13/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide has a molecular weight of 358.20 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenoxy)ethyl]acetamide is sourced from PubChem (CID 30865814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).