3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide

C15H16FN2O+ — CID 4743909

IUPAC3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide
SMILESCN(CCc1cccc[nH+]1)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c1-18(10-8-14-7-2-3-9-17-14)15(19)12-5-4-6-13(16)11-12/h2-7,9,11H,8,10H2,1H3/p+1
InChIKeyKZYWIGFCDTYDBN-UHFFFAOYSA-O
MW259.30 g/mol
LogP1.95
Rot. Bonds4

About 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide

3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide (PubChem CID 4743909) has the molecular formula C15H16FN2O+ and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide
PubChem CID4743909
Molecular FormulaC15H16FN2O+
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide
SMILESCN(CCc1cccc[nH+]1)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c1-18(10-8-14-7-2-3-9-17-14)15(19)12-5-4-6-13(16)11-12/h2-7,9,11H,8,10H2,1H3/p+1
InChIKeyKZYWIGFCDTYDBN-UHFFFAOYSA-O
XLogP1.95
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide (CID 4743909) is 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide is CN(CCc1cccc[nH+]1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide?
The InChIKey is KZYWIGFCDTYDBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15FN2O/c1-18(10-8-14-7-2-3-9-17-14)15(19)12-5-4-6-13(16)11-12/h2-7,9,11H,8,10H2,1H3/p+1.
What are the key properties of 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide?
3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide has a molecular weight of 259.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide is sourced from PubChem (CID 4743909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).