2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C13H18ClFN2O — CID 119389290

IUPAC2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-2-3-11(12(14)8-9)13(17)16-10-4-6-15-7-5-10;/h2-3,8,10,15H,4-7H2,1H3,(H,16,17);1H
InChIKeyKWSHMHHXWMGJHT-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.04
Rot. Bonds2

About 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride

2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119389290) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119389290
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-2-3-11(12(14)8-9)13(17)16-10-4-6-15-7-5-10;/h2-3,8,10,15H,4-7H2,1H3,(H,16,17);1H
InChIKeyKWSHMHHXWMGJHT-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide
CID 79796109
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119389290) is 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride is Cc1ccc(C(=O)NC2CCNCC2)c(F)c1.Cl.
What is the InChIKey of 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is KWSHMHHXWMGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9-2-3-11(12(14)8-9)13(17)16-10-4-6-15-7-5-10;/h2-3,8,10,15H,4-7H2,1H3,(H,16,17);1H.
What are the key properties of 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119389290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).