4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide

C16H20FNO2 — CID 60817366

IUPAC4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C16H20FNO2/c1-3-6-12(2)18-16(20)15-9-8-14(17)11-13(15)7-4-5-10-19/h8-9,11-12,19H,3,5-6,10H2,1-2H3,(H,18,20)
InChIKeyGDYAWMKKDWLQPC-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.48
Rot. Bonds5

About 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide

4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide (PubChem CID 60817366) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
PubChem CID60817366
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C16H20FNO2/c1-3-6-12(2)18-16(20)15-9-8-14(17)11-13(15)7-4-5-10-19/h8-9,11-12,19H,3,5-6,10H2,1-2H3,(H,18,20)
InChIKeyGDYAWMKKDWLQPC-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
CID 60821499
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54922036
N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 103463889
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54921677
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922339
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817208
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61455637
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 54921719

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide?
The IUPAC name of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide (CID 60817366) is 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(F)cc1C#CCCO.
What is the InChIKey of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide?
The InChIKey is GDYAWMKKDWLQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-3-6-12(2)18-16(20)15-9-8-14(17)11-13(15)7-4-5-10-19/h8-9,11-12,19H,3,5-6,10H2,1-2H3,(H,18,20).
What are the key properties of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide?
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide has a molecular weight of 277.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide is sourced from PubChem (CID 60817366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).