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

C10H12ClNO2 — CID 2306761

IUPACN-[2-(2-chlorophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-8(13)12-6-7-14-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyAFFVPQOZQUCFCD-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.85
Rot. Bonds4

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

N-[2-(2-chlorophenoxy)ethyl]acetamide (PubChem CID 2306761) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]acetamide
PubChem CID2306761
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-8(13)12-6-7-14-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyAFFVPQOZQUCFCD-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]acetamide (CID 2306761) is N-[2-(2-chlorophenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]acetamide is CC(=O)NCCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]acetamide?
The InChIKey is AFFVPQOZQUCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-8(13)12-6-7-14-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]acetamide?
N-[2-(2-chlorophenoxy)ethyl]acetamide has a molecular weight of 213.66 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 2306761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).