2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide

C16H22FNO3 — CID 65124161

IUPAC2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
SMILESCC1CCCC(O)(CNC(=O)COc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO3/c1-12-4-3-7-16(20,9-12)11-18-15(19)10-21-14-6-2-5-13(17)8-14/h2,5-6,8,12,20H,3-4,7,9-11H2,1H3,(H,18,19)
InChIKeySJKXBVAATRMABP-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.26
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide

2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide (PubChem CID 65124161) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
PubChem CID65124161
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
SMILESCC1CCCC(O)(CNC(=O)COc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO3/c1-12-4-3-7-16(20,9-12)11-18-15(19)10-21-14-6-2-5-13(17)8-14/h2,5-6,8,12,20H,3-4,7,9-11H2,1H3,(H,18,19)
InChIKeySJKXBVAATRMABP-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
CID 65124279
2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119112
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579
2-(3-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65103467
2-(3-ethylphenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866142
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
N-(3-cyclopentylpropyl)-2-(3-fluorophenoxy)acetamide
CID 55572986
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide (CID 65124161) is 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide is CC1CCCC(O)(CNC(=O)COc2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
The InChIKey is SJKXBVAATRMABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-12-4-3-7-16(20,9-12)11-18-15(19)10-21-14-6-2-5-13(17)8-14/h2,5-6,8,12,20H,3-4,7,9-11H2,1H3,(H,18,19).
What are the key properties of 2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide?
2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.26, 5 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-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 65124161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).