2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride

C12H15ClF2N2O — CID 119385702

IUPAC2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1c(F)cccc1F
InChIInChI=1S/C12H14F2N2O.ClH/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H,16,17);1H
InChIKeyADFWCZMVIHUHIM-UHFFFAOYSA-N
MW276.71 g/mol
LogP1.87
Rot. Bonds2

About 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride

2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119385702) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119385702
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1c(F)cccc1F
InChIInChI=1S/C12H14F2N2O.ClH/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H,16,17);1H
InChIKeyADFWCZMVIHUHIM-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
N-(5-azaspiro[3.5]nonan-8-yl)-2,6-difluorobenzamide
CID 43595348
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 134610507
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
7-fluoro-N-piperidin-4-yl-2H-indazole-3-carboxamide
CID 110469442
4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 134610620

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride (CID 119385702) is 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is ADFWCZMVIHUHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2,(H,16,17);1H.
What are the key properties of 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride?
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119385702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).