3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide

C14H20FNO3 — CID 107318784

IUPAC3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCCCCCO
InChIInChI=1S/C14H20FNO3/c15-12-4-6-13(7-5-12)19-11-8-14(18)16-9-2-1-3-10-17/h4-7,17H,1-3,8-11H2,(H,16,18)
InChIKeyZUMPSDDEYIXNHI-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.87
Rot. Bonds9

About 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide

3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide (PubChem CID 107318784) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
PubChem CID107318784
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCCCCCO
InChIInChI=1S/C14H20FNO3/c15-12-4-6-13(7-5-12)19-11-8-14(18)16-9-2-1-3-10-17/h4-7,17H,1-3,8-11H2,(H,16,18)
InChIKeyZUMPSDDEYIXNHI-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548082
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 32644530
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
N-decyl-3-(4-ethylphenoxy)propanamide
CID 108795844

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide (CID 107318784) is 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide is O=C(CCOc1ccc(F)cc1)NCCCCCO.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide?
The InChIKey is ZUMPSDDEYIXNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c15-12-4-6-13(7-5-12)19-11-8-14(18)16-9-2-1-3-10-17/h4-7,17H,1-3,8-11H2,(H,16,18).
What are the key properties of 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide?
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide has a molecular weight of 269.32 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide is sourced from PubChem (CID 107318784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).