2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide

C14H20FNO4 — CID 63366214

IUPAC2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cc(F)ccc1[C@H](C)O
InChIInChI=1S/C14H20FNO4/c1-10(17)12-5-4-11(15)8-13(12)20-9-14(18)16-6-3-7-19-2/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeySYHMPNRRHKMVMC-JTQLQIEISA-N
MW285.31 g/mol
LogP1.41
Rot. Bonds8

About 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide

2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 63366214) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID63366214
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Name2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cc(F)ccc1[C@H](C)O
InChIInChI=1S/C14H20FNO4/c1-10(17)12-5-4-11(15)8-13(12)20-9-14(18)16-6-3-7-19-2/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeySYHMPNRRHKMVMC-JTQLQIEISA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78932178
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 107698563
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 82000191
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63366201
N-cyclohexyl-2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 78934122
2-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78933862
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 63366000

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide (CID 63366214) is 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1cc(F)ccc1[C@H](C)O.
What is the InChIKey of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is SYHMPNRRHKMVMC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO4/c1-10(17)12-5-4-11(15)8-13(12)20-9-14(18)16-6-3-7-19-2/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide?
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 285.31 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 63366214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).