3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide

C12H16FNO3 — CID 79676858

IUPAC3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-16-8-9-17-14-12(15)7-4-10-2-5-11(13)6-3-10/h2-3,5-6H,4,7-9H2,1H3,(H,14,15)
InChIKeyFRYFGJAMGQUGNA-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.45
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide

3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide (PubChem CID 79676858) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
PubChem CID79676858
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-16-8-9-17-14-12(15)7-4-10-2-5-11(13)6-3-10/h2-3,5-6H,4,7-9H2,1H3,(H,14,15)
InChIKeyFRYFGJAMGQUGNA-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
2-(4-fluorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676788
2-(4-fluorophenyl)-N-(methoxymethoxy)acetamide
CID 110495462
3-(2-hydroxyphenyl)-N-(2-methoxyethoxy)propanamide
CID 79675926
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
methyl 4-(4-fluorophenyl)-2-oxobutanoate
CID 18370211
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
methyl 4-(4-fluorophenyl)-2-hydroxybutanoate
CID 67031210
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide (CID 79676858) is 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide is COCCONC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide?
The InChIKey is FRYFGJAMGQUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-16-8-9-17-14-12(15)7-4-10-2-5-11(13)6-3-10/h2-3,5-6H,4,7-9H2,1H3,(H,14,15).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide?
3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide has a molecular weight of 241.26 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 79676858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).