2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride

C14H20ClFN2O — CID 23724363

IUPAC2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCN1CCC(N(C)C(=O)c2ccccc2F)CC1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15;/h3-6,11H,7-10H2,1-2H3;1H
InChIKeyRIOBEKLFXLXIJP-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.41
Rot. Bonds2

About 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride

2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 23724363) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID23724363
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCN1CCC(N(C)C(=O)c2ccccc2F)CC1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15;/h3-6,11H,7-10H2,1-2H3;1H
InChIKeyRIOBEKLFXLXIJP-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride (CID 23724363) is 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride is CN1CCC(N(C)C(=O)c2ccccc2F)CC1.Cl.
What is the InChIKey of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is RIOBEKLFXLXIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15;/h3-6,11H,7-10H2,1-2H3;1H.
What are the key properties of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride?
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 23724363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).