2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide

C15H17F2N3O2 — CID 141109069

IUPAC2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide
SMILESO=C(NC1C=CN(C2CCCCO2)N1F)c1ccccc1F
InChIInChI=1S/C15H17F2N3O2/c16-12-6-2-1-5-11(12)15(21)18-13-8-9-19(20(13)17)14-7-3-4-10-22-14/h1-2,5-6,8-9,13-14H,3-4,7,10H2,(H,18,21)
InChIKeyPLFXFIFXAFLMID-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.34
Rot. Bonds3

About 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide

2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide (PubChem CID 141109069) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide
PubChem CID141109069
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide
SMILESO=C(NC1C=CN(C2CCCCO2)N1F)c1ccccc1F
InChIInChI=1S/C15H17F2N3O2/c16-12-6-2-1-5-11(12)15(21)18-13-8-9-19(20(13)17)14-7-3-4-10-22-14/h1-2,5-6,8-9,13-14H,3-4,7,10H2,(H,18,21)
InChIKeyPLFXFIFXAFLMID-UHFFFAOYSA-N
XLogP2.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
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CID 112729579
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
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N-(cyclohexylcarbamothioyl)-2-fluorobenzamide
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N-cyclopropyl-3-fluoro-2-[3-iodo-1-(oxan-2-yl)indazol-6-yl]sulfanylbenzamide
CID 175999651
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide
CID 110732804
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide (CID 141109069) is 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide is O=C(NC1C=CN(C2CCCCO2)N1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide?
The InChIKey is PLFXFIFXAFLMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c16-12-6-2-1-5-11(12)15(21)18-13-8-9-19(20(13)17)14-7-3-4-10-22-14/h1-2,5-6,8-9,13-14H,3-4,7,10H2,(H,18,21).
What are the key properties of 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide?
2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide has a molecular weight of 309.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-fluoro-1-(oxan-2-yl)-3H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 141109069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).