3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide

C16H24FNO2 — CID 110355420

IUPAC3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide
SMILESCOCCNC(=O)CC(CC(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-12(2)10-14(11-16(19)18-8-9-20-3)13-4-6-15(17)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,18,19)
InChIKeyYFNQWNKBBNYMHT-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.11
Rot. Bonds8

About 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide

3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide (PubChem CID 110355420) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide
PubChem CID110355420
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide
SMILESCOCCNC(=O)CC(CC(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-12(2)10-14(11-16(19)18-8-9-20-3)13-4-6-15(17)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,18,19)
InChIKeyYFNQWNKBBNYMHT-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide
CID 110355632
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 36851040
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
CID 35608176
3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide
CID 110354796
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide (CID 110355420) is 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide is COCCNC(=O)CC(CC(C)C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide?
The InChIKey is YFNQWNKBBNYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(2)10-14(11-16(19)18-8-9-20-3)13-4-6-15(17)7-5-13/h4-7,12,14H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide?
3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide has a molecular weight of 281.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide is sourced from PubChem (CID 110355420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).