2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide

C12H16FNO3 — CID 43391422

IUPAC2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCCCO
InChIInChI=1S/C12H16FNO3/c1-9(12(16)14-7-2-8-15)17-11-5-3-10(13)4-6-11/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyDPZKRJONVFHLFV-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.09
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide

2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide (PubChem CID 43391422) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
PubChem CID43391422
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NCCCO
InChIInChI=1S/C12H16FNO3/c1-9(12(16)14-7-2-8-15)17-11-5-3-10(13)4-6-11/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyDPZKRJONVFHLFV-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.09
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

2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352
2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide
CID 113236396
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
2-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548620
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide (CID 43391422) is 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide is CC(Oc1ccc(F)cc1)C(=O)NCCCO.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide?
The InChIKey is DPZKRJONVFHLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-9(12(16)14-7-2-8-15)17-11-5-3-10(13)4-6-11/h3-6,9,15H,2,7-8H2,1H3,(H,14,16).
What are the key properties of 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide?
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide has a molecular weight of 241.26 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 43391422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).