5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide

C13H14FNO2 — CID 103529109

IUPAC5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
SMILESC#CC(CCC)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H14FNO2/c1-3-5-10(4-2)15-13(17)11-8-9(14)6-7-12(11)16/h2,6-8,10,16H,3,5H2,1H3,(H,15,17)
InChIKeyMASGMKHXUQATKB-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.06
Rot. Bonds4

About 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide

5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide (PubChem CID 103529109) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
PubChem CID103529109
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
SMILESC#CC(CCC)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H14FNO2/c1-3-5-10(4-2)15-13(17)11-8-9(14)6-7-12(11)16/h2,6-8,10,16H,3,5H2,1H3,(H,15,17)
InChIKeyMASGMKHXUQATKB-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.06
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

2,4-difluoro-N-hex-1-yn-3-ylbenzamide
CID 103528717
N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
CID 103528937
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
2,4-difluoro-N-pent-1-yn-3-ylbenzamide
CID 103579084
4-chloro-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 103528497
2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579022
5-amino-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223460
2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
CID 103528693
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide?
The IUPAC name of 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide (CID 103529109) is 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide.
What is the SMILES notation for 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide?
The canonical SMILES for 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide is C#CC(CCC)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide?
The InChIKey is MASGMKHXUQATKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-3-5-10(4-2)15-13(17)11-8-9(14)6-7-12(11)16/h2,6-8,10,16H,3,5H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide?
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide has a molecular weight of 235.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide is sourced from PubChem (CID 103529109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).