2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide

C15H10F2N2O2 — CID 102821042

IUPAC2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(C#CCO)ccn1)c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O2/c16-11-3-4-12(13(17)9-11)15(21)19-14-8-10(2-1-7-20)5-6-18-14/h3-6,8-9,20H,7H2,(H,18,19,21)
InChIKeyAXYUAEXHQPUQMQ-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.96
Rot. Bonds2

About 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide

2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide (PubChem CID 102821042) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
PubChem CID102821042
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(C#CCO)ccn1)c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O2/c16-11-3-4-12(13(17)9-11)15(21)19-14-8-10(2-1-7-20)5-6-18-14/h3-6,8-9,20H,7H2,(H,18,19,21)
InChIKeyAXYUAEXHQPUQMQ-UHFFFAOYSA-N
XLogP1.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.96
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

2,5-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821008
2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 107677282
2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
CID 102820853
5-fluoro-2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820825
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
2-chloro-3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821048
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 60820829
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzamide
CID 116787533
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 102821026
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide
CID 63562624
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide (CID 102821042) is 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide is O=C(Nc1cc(C#CCO)ccn1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
The InChIKey is AXYUAEXHQPUQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-11-3-4-12(13(17)9-11)15(21)19-14-8-10(2-1-7-20)5-6-18-14/h3-6,8-9,20H,7H2,(H,18,19,21).
What are the key properties of 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide?
2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide has a molecular weight of 288.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 102821042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).