2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide

C16H13F2N3O2 — CID 122265973

IUPAC2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)n1cccn1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2N3O2/c17-11-4-1-5-12(18)15(11)16(22)19-10-13(14-6-2-9-23-14)21-8-3-7-20-21/h1-9,13H,10H2,(H,19,22)
InChIKeyMMTIRGIOENJRBV-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.77
Rot. Bonds5

About 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide

2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide (PubChem CID 122265973) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
PubChem CID122265973
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)n1cccn1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2N3O2/c17-11-4-1-5-12(18)15(11)16(22)19-10-13(14-6-2-9-23-14)21-8-3-7-20-21/h1-9,13H,10H2,(H,19,22)
InChIKeyMMTIRGIOENJRBV-UHFFFAOYSA-N
XLogP2.77
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265981
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122266310
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121019350
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
CID 122265946
2,6-difluoro-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234350
2,6-difluoro-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145483
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
CID 121019365

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide (CID 122265973) is 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide is O=C(NCC(c1ccco1)n1cccn1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide?
The InChIKey is MMTIRGIOENJRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c17-11-4-1-5-12(18)15(11)16(22)19-10-13(14-6-2-9-23-14)21-8-3-7-20-21/h1-9,13H,10H2,(H,19,22).
What are the key properties of 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide?
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide has a molecular weight of 317.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide is sourced from PubChem (CID 122265973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).