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

C12H16FNO3 — CID 60675242

IUPAC2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-9(12(15)14-6-7-16-2)17-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyGQIGLFDOXQGIGN-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.36
Rot. Bonds6

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

2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 60675242) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID60675242
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-9(12(15)14-6-7-16-2)17-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyGQIGLFDOXQGIGN-UHFFFAOYSA-N
XLogP1.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
CID 100617899
(2S)-3-[2-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833758
2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 43278513
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737838
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737835
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
CID 78852521

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide (CID 60675242) is 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is GQIGLFDOXQGIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-9(12(15)14-6-7-16-2)17-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 241.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 60675242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).