2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C13H18FNO3 — CID 79252060

IUPAC2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)COc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyIKHGEMFGNZTESH-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.34
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79252060) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79252060
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)COc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyIKHGEMFGNZTESH-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248730
2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255031
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114078973
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
2-(2,6-dimethylphenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79247450
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 74554708
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
N-(1-chloro-3-methylbutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 113273495
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79252060) is 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)COc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is IKHGEMFGNZTESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-4-10(14)6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 255.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79252060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).