3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide

C13H11FN2O2 — CID 116622136

IUPAC3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
SMILESNC(=O)c1ccc(Cn2ccc(=O)cc2)c(F)c1
InChIInChI=1S/C13H11FN2O2/c14-12-7-9(13(15)18)1-2-10(12)8-16-5-3-11(17)4-6-16/h1-7H,8H2,(H2,15,18)
InChIKeyWEACNORKDAEKGD-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.13
Rot. Bonds3

About 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide

3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide (PubChem CID 116622136) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
PubChem CID116622136
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
SMILESNC(=O)c1ccc(Cn2ccc(=O)cc2)c(F)c1
InChIInChI=1S/C13H11FN2O2/c14-12-7-9(13(15)18)1-2-10(12)8-16-5-3-11(17)4-6-16/h1-7H,8H2,(H2,15,18)
InChIKeyWEACNORKDAEKGD-UHFFFAOYSA-N
XLogP1.13
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzamide
CID 116618428
4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 114761112
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 79031716
3-fluoro-4-(2-hydroxyethyl)benzamide
CID 175907153
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]pyridin-4-one
CID 64763549
3-methyl-4-[(4-oxo-1-pyridinyl)methyl]benzenecarbothioamide
CID 114482094
3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 63769254
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide
CID 61233906
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 83133649
4-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-3-fluorobenzamide
CID 66308705

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide (CID 116622136) is 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide is NC(=O)c1ccc(Cn2ccc(=O)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide?
The InChIKey is WEACNORKDAEKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-12-7-9(13(15)18)1-2-10(12)8-16-5-3-11(17)4-6-16/h1-7H,8H2,(H2,15,18).
What are the key properties of 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide?
3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide has a molecular weight of 246.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide is sourced from PubChem (CID 116622136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).