2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide

C13H18FNO4 — CID 90500952

IUPAC2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
SMILESCOCC(C)(O)CNC(=O)COc1ccccc1F
InChIInChI=1S/C13H18FNO4/c1-13(17,9-18-2)8-15-12(16)7-19-11-6-4-3-5-10(11)14/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyWALAWTLARQTFGQ-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.72
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide

2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide (PubChem CID 90500952) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
PubChem CID90500952
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Name2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
SMILESCOCC(C)(O)CNC(=O)COc1ccccc1F
InChIInChI=1S/C13H18FNO4/c1-13(17,9-18-2)8-15-12(16)7-19-11-6-4-3-5-10(11)14/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyWALAWTLARQTFGQ-UHFFFAOYSA-N
XLogP0.72
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
CID 86264329
2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480362
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81370073
2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 106289602
2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485139
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide (CID 90500952) is 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide is COCC(C)(O)CNC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide?
The InChIKey is WALAWTLARQTFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-13(17,9-18-2)8-15-12(16)7-19-11-6-4-3-5-10(11)14/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide?
2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide has a molecular weight of 271.29 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide is sourced from PubChem (CID 90500952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).