5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide

C16H13FN2O2 — CID 60817200

IUPAC5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C16H13FN2O2/c17-13-8-7-12(5-2-4-10-20)14(11-13)16(21)19-15-6-1-3-9-18-15/h1,3,6-9,11,20H,4,10H2,(H,18,19,21)
InChIKeyLXIAYMAUVGPCOC-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.21
Rot. Bonds3

About 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide

5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide (PubChem CID 60817200) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
PubChem CID60817200
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C16H13FN2O2/c17-13-8-7-12(5-2-4-10-20)14(11-13)16(21)19-15-6-1-3-9-18-15/h1,3,6-9,11,20H,4,10H2,(H,18,19,21)
InChIKeyLXIAYMAUVGPCOC-UHFFFAOYSA-N
XLogP2.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
CID 60815649
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
CID 114913730
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817307
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816589
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 54921719
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279208
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197488
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82747563
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60815511
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816584

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide (CID 60817200) is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1cc(F)ccc1C#CCCO.
What is the InChIKey of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide?
The InChIKey is LXIAYMAUVGPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-8-7-12(5-2-4-10-20)14(11-13)16(21)19-15-6-1-3-9-18-15/h1,3,6-9,11,20H,4,10H2,(H,18,19,21).
What are the key properties of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide?
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 60817200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).