3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide

C20H24FNO2 — CID 86920854

IUPAC3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCC(OCCCNC(=O)CCc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H24FNO2/c1-16(17-8-3-2-4-9-17)24-15-7-14-22-20(23)13-12-18-10-5-6-11-19(18)21/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,23)
InChIKeyQOBPEBYNWKDVBR-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.04
Rot. Bonds9

About 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide

3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide (PubChem CID 86920854) has the molecular formula C20H24FNO2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
PubChem CID86920854
Molecular FormulaC20H24FNO2
Molecular Weight329.41 g/mol
Exact Mass329.18
IUPAC Name3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCC(OCCCNC(=O)CCc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H24FNO2/c1-16(17-8-3-2-4-9-17)24-15-7-14-22-20(23)13-12-18-10-5-6-11-19(18)21/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,23)
InChIKeyQOBPEBYNWKDVBR-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.04
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

Mdl 201053
CID 122019
(2s)-6-[(4-Fluorobenzyl)amino]-2-[(2r)-2-(4-Fluorophenyl)-2-Methoxyethyl]-N-Hydroxyhexanamide
CID 54582019
Z-FA-Fmk
CID 5311161
N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
Z-Phe-DL-Ala-fluoromethylketone
CID 6915837
(5S,6S,7S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-7-methylazepan-2-one
CID 11983278
(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-1-methylazepan-2-one
CID 44412159
(5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)azepan-2-one
CID 44412207
(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)azepan-2-one
CID 44412225
(3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-3-methylazepan-2-one
CID 44412445
(4R,5S,7R)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-7-methylazepan-2-one
CID 44412493
[(5S,7R)-7-(4-fluorophenyl)-5-(hydroxycarbamoyl)-7-methoxyheptyl]-[(4-fluorophenyl)methyl]azanium
CID 72200759

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide (CID 86920854) is 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide is CC(OCCCNC(=O)CCc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The InChIKey is QOBPEBYNWKDVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-16(17-8-3-2-4-9-17)24-15-7-14-22-20(23)13-12-18-10-5-6-11-19(18)21/h2-6,8-11,16H,7,12-15H2,1H3,(H,22,23).
What are the key properties of 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide has a molecular weight of 329.41 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide is sourced from PubChem (CID 86920854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).