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

C13H17ClF2N2O — CID 119443342

IUPAC2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(F)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15;/h2-3,8,10,16H,4-7H2,1H3;1H
InChIKeyLWIXOEREJCCJOV-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.21
Rot. Bonds2

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

2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119443342) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119443342
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(F)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15;/h2-3,8,10,16H,4-7H2,1H3;1H
InChIKeyLWIXOEREJCCJOV-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
N-(azepan-4-yl)-2-fluoro-N-methyl-4-nitrobenzamide
CID 104974655
2-fluoro-N-methyl-N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176731051
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119443342) is 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(F)cc1F)C1CCNCC1.Cl.
What is the InChIKey of 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is LWIXOEREJCCJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15;/h2-3,8,10,16H,4-7H2,1H3;1H.
What are the key properties of 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119443342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).