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

C12H16FNO2 — CID 70870353

IUPAC3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-16-9-8-14-12(15)7-4-10-2-5-11(13)6-3-10/h2-3,5-6H,4,7-9H2,1H3,(H,14,15)
InChIKeySAXUJZKPVCEBEL-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.52
Rot. Bonds6

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

3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide (PubChem CID 70870353) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
PubChem CID70870353
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-16-9-8-14-12(15)7-4-10-2-5-11(13)6-3-10/h2-3,5-6H,4,7-9H2,1H3,(H,14,15)
InChIKeySAXUJZKPVCEBEL-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676858
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 100530141
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide (CID 70870353) is 3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is SAXUJZKPVCEBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-9-8-14-12(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-methoxyethyl)propanamide?
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 225.26 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 70870353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).