3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide

C16H20FNO2 — CID 62200463

IUPAC3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCCCC(C)NC(=O)c1ccc(C#CCO)c(F)c1
InChIInChI=1S/C16H20FNO2/c1-3-4-6-12(2)18-16(20)14-9-8-13(7-5-10-19)15(17)11-14/h8-9,11-12,19H,3-4,6,10H2,1-2H3,(H,18,20)
InChIKeyBVRQPEQLHMGZNZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.48
Rot. Bonds5

About 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide

3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 62200463) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID62200463
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCCCC(C)NC(=O)c1ccc(C#CCO)c(F)c1
InChIInChI=1S/C16H20FNO2/c1-3-4-6-12(2)18-16(20)14-9-8-13(7-5-10-19)15(17)11-14/h8-9,11-12,19H,3-4,6,10H2,1-2H3,(H,18,20)
InChIKeyBVRQPEQLHMGZNZ-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

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217781
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxypropyl)benzamide
CID 102700170
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64686483
4-fluoro-N-hexan-2-yl-3-nitrobenzamide
CID 62198938
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641767
3-fluoro-4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 169485195
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484230
N-heptan-2-yl-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696487
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550641
N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62414632

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide (CID 62200463) is 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide is CCCCC(C)NC(=O)c1ccc(C#CCO)c(F)c1.
What is the InChIKey of 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is BVRQPEQLHMGZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-3-4-6-12(2)18-16(20)14-9-8-13(7-5-10-19)15(17)11-14/h8-9,11-12,19H,3-4,6,10H2,1-2H3,(H,18,20).
What are the key properties of 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide?
3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide 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 3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 62200463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).