3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide

C13H11FN2O2 — CID 118901335

IUPAC3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(O)c(F)c1
InChIInChI=1S/C13H11FN2O2/c14-11-6-10(3-4-12(11)17)13(18)16-8-9-2-1-5-15-7-9/h1-7,17H,8H2,(H,16,18)
InChIKeyDBVBAPVSWNVQFT-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.86
Rot. Bonds3

About 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide

3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 118901335) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID118901335
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(O)c(F)c1
InChIInChI=1S/C13H11FN2O2/c14-11-6-10(3-4-12(11)17)13(18)16-8-9-2-1-5-15-7-9/h1-7,17H,8H2,(H,16,18)
InChIKeyDBVBAPVSWNVQFT-UHFFFAOYSA-N
XLogP1.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Flavoteben
CID 135400468
(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
4-hydroxy-N'-[(E)-pyridin-3-ylmethylidene]benzohydrazide
CID 6862721
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641
2-hydroxy-N-((pyridin-2-yl)methyl)benzamide
CID 778091
CA standard inhibitor, 2
CID 19564789
4-phenoxy-N-(pyridin-4-ylmethyl)benzamide
CID 2568387
4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
CID 2568535
4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzenecarboxamide
CID 4358655
(E)-1-(5-fluoro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5819759
4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 841534
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 2965131

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 118901335) is 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DBVBAPVSWNVQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-6-10(3-4-12(11)17)13(18)16-8-9-2-1-5-15-7-9/h1-7,17H,8H2,(H,16,18).
What are the key properties of 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 246.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 118901335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).