3-fluoro-N-(5-methyl-2-pyridinyl)benzamide

C13H11FN2O — CID 3011455

IUPAC3-fluoro-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C13H11FN2O/c1-9-5-6-12(15-8-9)16-13(17)10-3-2-4-11(14)7-10/h2-8H,1H3,(H,15,16,17)
InChIKeyNBCUBHUBNSKBFB-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.78
Rot. Bonds2

About 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide

3-fluoro-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 3011455) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID3011455
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name3-fluoro-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C13H11FN2O/c1-9-5-6-12(15-8-9)16-13(17)10-3-2-4-11(14)7-10/h2-8H,1H3,(H,15,16,17)
InChIKeyNBCUBHUBNSKBFB-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide (CID 3011455) is 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cccc(F)c2)nc1.
What is the InChIKey of 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is NBCUBHUBNSKBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-9-5-6-12(15-8-9)16-13(17)10-3-2-4-11(14)7-10/h2-8H,1H3,(H,15,16,17).
What are the key properties of 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide?
3-fluoro-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 230.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 3011455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).