2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide

C17H13FN2O2 — CID 121196604

IUPAC2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccoc2)nc1)c1ccccc1F
InChIInChI=1S/C17H13FN2O2/c18-15-4-2-1-3-14(15)17(21)20-10-12-5-6-16(19-9-12)13-7-8-22-11-13/h1-9,11H,10H2,(H,20,21)
InChIKeyJYWJJMCEVJJXKD-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.41
Rot. Bonds4

About 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide

2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 121196604) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
PubChem CID121196604
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccoc2)nc1)c1ccccc1F
InChIInChI=1S/C17H13FN2O2/c18-15-4-2-1-3-14(15)17(21)20-10-12-5-6-16(19-9-12)13-7-8-22-11-13/h1-9,11H,10H2,(H,20,21)
InChIKeyJYWJJMCEVJJXKD-UHFFFAOYSA-N
XLogP3.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121196615
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
2-(1,2-benzoxazol-3-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 119105233
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 119105213
3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105221
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121196771
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766
2-fluoro-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]benzamide
CID 122244751
3-(2-chlorophenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121196657

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide (CID 121196604) is 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide is O=C(NCc1ccc(-c2ccoc2)nc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is JYWJJMCEVJJXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-15-4-2-1-3-14(15)17(21)20-10-12-5-6-16(19-9-12)13-7-8-22-11-13/h1-9,11H,10H2,(H,20,21).
What are the key properties of 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide?
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 296.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 121196604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).