2-(4-chlorophenoxy)-N-oxoacetamide

C8H6ClNO3 — CID 123460876

IUPAC2-(4-chlorophenoxy)-N-oxoacetamide
SMILESO=NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClNO3/c9-6-1-3-7(4-2-6)13-5-8(11)10-12/h1-4H,5H2
InChIKeyMSWKBVVIBUPMNL-UHFFFAOYSA-N
MW199.59 g/mol
LogP2.01
Rot. Bonds3

About 2-(4-chlorophenoxy)-N-oxoacetamide

2-(4-chlorophenoxy)-N-oxoacetamide (PubChem CID 123460876) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-oxoacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-oxoacetamide
PubChem CID123460876
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name2-(4-chlorophenoxy)-N-oxoacetamide
SMILESO=NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClNO3/c9-6-1-3-7(4-2-6)13-5-8(11)10-12/h1-4H,5H2
InChIKeyMSWKBVVIBUPMNL-UHFFFAOYSA-N
XLogP2.01
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
azanium 2-(4-chlorophenoxy)acetate
CID 142591022
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide
CID 144505227
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-(methylideneamino)acetamide
CID 18773797
1-(4-chlorophenoxy)-5-methylhexan-2-one
CID 115693509
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide
CID 139571782
1-(4-chlorophenoxy)pent-4-en-2-one
CID 105083082

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-oxoacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-oxoacetamide (CID 123460876) is 2-(4-chlorophenoxy)-N-oxoacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-oxoacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-oxoacetamide is O=NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-oxoacetamide?
The InChIKey is MSWKBVVIBUPMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c9-6-1-3-7(4-2-6)13-5-8(11)10-12/h1-4H,5H2.
What are the key properties of 2-(4-chlorophenoxy)-N-oxoacetamide?
2-(4-chlorophenoxy)-N-oxoacetamide has a molecular weight of 199.59 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-oxoacetamide is sourced from PubChem (CID 123460876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).