N-[2-(2-chloroethoxy)ethyl]acetamide

C6H12ClNO2 — CID 14143910

IUPACN-[2-(2-chloroethoxy)ethyl]acetamide
SMILESCC(=O)NCCOCCCl
InChIInChI=1S/C6H12ClNO2/c1-6(9)8-3-5-10-4-2-7/h2-5H2,1H3,(H,8,9)
InChIKeyCXIILLKXNMQNIV-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.38
Rot. Bonds5

About N-[2-(2-chloroethoxy)ethyl]acetamide

N-[2-(2-chloroethoxy)ethyl]acetamide (PubChem CID 14143910) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]acetamide
PubChem CID14143910
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC NameN-[2-(2-chloroethoxy)ethyl]acetamide
SMILESCC(=O)NCCOCCCl
InChIInChI=1S/C6H12ClNO2/c1-6(9)8-3-5-10-4-2-7/h2-5H2,1H3,(H,8,9)
InChIKeyCXIILLKXNMQNIV-UHFFFAOYSA-N
XLogP0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.38
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 N-[2-(2-chloroethoxy)ethyl]acetamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]acetamide (CID 14143910) is N-[2-(2-chloroethoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]acetamide is CC(=O)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]acetamide?
The InChIKey is CXIILLKXNMQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-6(9)8-3-5-10-4-2-7/h2-5H2,1H3,(H,8,9).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]acetamide?
N-[2-(2-chloroethoxy)ethyl]acetamide has a molecular weight of 165.62 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]acetamide is sourced from PubChem (CID 14143910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).