3-fluoro-2-methyl-N-pyridin-2-ylbenzamide

C13H11FN2O — CID 118707931

IUPAC3-fluoro-2-methyl-N-pyridin-2-ylbenzamide
SMILESCc1c(F)cccc1C(=O)Nc1ccccn1
InChIInChI=1S/C13H11FN2O/c1-9-10(5-4-6-11(9)14)13(17)16-12-7-2-3-8-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyJXYOTCLICONIGY-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.78
Rot. Bonds2

About 3-fluoro-2-methyl-N-pyridin-2-ylbenzamide

3-fluoro-2-methyl-N-pyridin-2-ylbenzamide (PubChem CID 118707931) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-pyridin-2-ylbenzamide
PubChem CID118707931
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name3-fluoro-2-methyl-N-pyridin-2-ylbenzamide
SMILESCc1c(F)cccc1C(=O)Nc1ccccn1
InChIInChI=1S/C13H11FN2O/c1-9-10(5-4-6-11(9)14)13(17)16-12-7-2-3-8-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyJXYOTCLICONIGY-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-2-methyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-fluoro-2-methyl-N-pyridin-2-ylbenzamide (CID 118707931) is 3-fluoro-2-methyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-fluoro-2-methyl-N-pyridin-2-ylbenzamide is Cc1c(F)cccc1C(=O)Nc1ccccn1.
What is the InChIKey of 3-fluoro-2-methyl-N-pyridin-2-ylbenzamide?
The InChIKey is JXYOTCLICONIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-9-10(5-4-6-11(9)14)13(17)16-12-7-2-3-8-15-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of 3-fluoro-2-methyl-N-pyridin-2-ylbenzamide?
3-fluoro-2-methyl-N-pyridin-2-ylbenzamide 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-2-methyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 118707931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).