2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C13H17ClF2N2O — CID 119386244

IUPAC2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNCC2)c(F)cc1F.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8-6-10(12(15)7-11(8)14)13(18)17-9-2-4-16-5-3-9;/h6-7,9,16H,2-5H2,1H3,(H,17,18);1H
InChIKeyNYCPETHTQPKJOM-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.18
Rot. Bonds2

About 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride

2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119386244) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119386244
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNCC2)c(F)cc1F.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8-6-10(12(15)7-11(8)14)13(18)17-9-2-4-16-5-3-9;/h6-7,9,16H,2-5H2,1H3,(H,17,18);1H
InChIKeyNYCPETHTQPKJOM-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449965
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
CID 165429684
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119386244) is 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride is Cc1cc(C(=O)NC2CCNCC2)c(F)cc1F.Cl.
What is the InChIKey of 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is NYCPETHTQPKJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-8-6-10(12(15)7-11(8)14)13(18)17-9-2-4-16-5-3-9;/h6-7,9,16H,2-5H2,1H3,(H,17,18);1H.
What are the key properties of 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119386244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).