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

C10H10Cl3NO2 — CID 3614497

IUPAC2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
SMILESO=C(CCl)NCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO2/c11-6-10(15)14-3-4-16-9-2-1-7(12)5-8(9)13/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyYDVUTDAMJFFBOB-UHFFFAOYSA-N
MW282.55 g/mol
LogP2.73
Rot. Bonds5

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

2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide (PubChem CID 3614497) has the molecular formula C10H10Cl3NO2 and a molecular weight of 282.55 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
PubChem CID3614497
Molecular FormulaC10H10Cl3NO2
Molecular Weight282.55 g/mol
Exact Mass280.98
IUPAC Name2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
SMILESO=C(CCl)NCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO2/c11-6-10(15)14-3-4-16-9-2-1-7(12)5-8(9)13/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyYDVUTDAMJFFBOB-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide (CID 3614497) is 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide is O=C(CCl)NCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide?
The InChIKey is YDVUTDAMJFFBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2/c11-6-10(15)14-3-4-16-9-2-1-7(12)5-8(9)13/h1-2,5H,3-4,6H2,(H,14,15).
What are the key properties of 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide?
2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide has a molecular weight of 282.55 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 3614497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).