2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride

C14H20ClFN2O — CID 84586603

IUPAC2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCC2CCCCN2)c(F)c1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-10-5-6-12(13(15)8-10)14(18)17-9-11-4-2-3-7-16-11;/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18);1H
InChIKeyMLSQOHREIKWRHS-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.43
Rot. Bonds3

About 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride

2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 84586603) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID84586603
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCC2CCCCN2)c(F)c1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-10-5-6-12(13(15)8-10)14(18)17-9-11-4-2-3-7-16-11;/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18);1H
InChIKeyMLSQOHREIKWRHS-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
CID 79749991
5-fluoro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 55182007
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916
2-fluoro-5-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62516361
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510964
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119510965

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride (CID 84586603) is 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride is Cc1ccc(C(=O)NCC2CCCCN2)c(F)c1.Cl.
What is the InChIKey of 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is MLSQOHREIKWRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-10-5-6-12(13(15)8-10)14(18)17-9-11-4-2-3-7-16-11;/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18);1H.
What are the key properties of 2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride?
2-fluoro-4-methyl-N-(piperidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.43, 3 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-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 84586603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).