2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C13H17ClF2N2O — CID 119444296

IUPAC2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cccc(F)c1F)C1CCNCC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-17(9-5-7-16-8-6-9)13(18)10-3-2-4-11(14)12(10)15;/h2-4,9,16H,5-8H2,1H3;1H
InChIKeyLDIRADANGGSZGB-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.21
Rot. Bonds2

About 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119444296) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119444296
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cccc(F)c1F)C1CCNCC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-17(9-5-7-16-8-6-9)13(18)10-3-2-4-11(14)12(10)15;/h2-4,9,16H,5-8H2,1H3;1H
InChIKeyLDIRADANGGSZGB-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

2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441407
N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119444296) is 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CN(C(=O)c1cccc(F)c1F)C1CCNCC1.Cl.
What is the InChIKey of 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is LDIRADANGGSZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-17(9-5-7-16-8-6-9)13(18)10-3-2-4-11(14)12(10)15;/h2-4,9,16H,5-8H2,1H3;1H.
What are the key properties of 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
2,3-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 2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119444296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).