2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide

C11H14FNO3 — CID 50946647

IUPAC2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyKQIHDBIHUIVIAI-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.97
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide

2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 50946647) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID50946647
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyKQIHDBIHUIVIAI-UHFFFAOYSA-N
XLogP0.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.97
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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Related Compounds

Mefexamide
CID 4045
2-Phenoxyacetamide
CID 69314
2-Phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
CID 910270
Methyl(2-phenoxyethyl)amine
CID 37732
2-(4-Fluoro-phenoxy)-N-(2-pyrrolidin-1-yl-ethyl)-acetamide
CID 2947598
N-cyclohexyl-2-phenoxyacetamide
CID 832666
N,N-bis(2-phenoxyethyl)acetamide
CID 728964
N-cyclooctyl-2-(4-methoxyphenoxy)acetamide
CID 774454
N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 80619
Acylglycineboronic acid, 7
CID 52939986
Acylglycineboronic acid, 8
CID 52939987
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide (CID 50946647) is 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is KQIHDBIHUIVIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide?
2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 227.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 50946647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).