3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide

C12H16FNO3 — CID 110678607

IUPAC3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-16-9-7-14-12(15)6-8-17-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyPIQCIZDSCHGFBM-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.36
Rot. Bonds7

About 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide

3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 110678607) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID110678607
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-16-9-7-14-12(15)6-8-17-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyPIQCIZDSCHGFBM-UHFFFAOYSA-N
XLogP1.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.36
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

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791412
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107648
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide (CID 110678607) is 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is PIQCIZDSCHGFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-16-9-7-14-12(15)6-8-17-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 241.26 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 110678607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).