2,5-difluoro-N-piperidin-4-ylbenzamide

C12H14F2N2O — CID 24690587

IUPAC2,5-difluoro-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2,(H,16,17)
InChIKeyCLRDMZSSWQQMQM-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.45
Rot. Bonds2

About 2,5-difluoro-N-piperidin-4-ylbenzamide

2,5-difluoro-N-piperidin-4-ylbenzamide (PubChem CID 24690587) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2,5-difluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-piperidin-4-ylbenzamide
PubChem CID24690587
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2,5-difluoro-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2,(H,16,17)
InChIKeyCLRDMZSSWQQMQM-UHFFFAOYSA-N
XLogP1.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
CID 171361952
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
2,5-difluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523182
7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119387295
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of 2,5-difluoro-N-piperidin-4-ylbenzamide (CID 24690587) is 2,5-difluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2,5-difluoro-N-piperidin-4-ylbenzamide is O=C(NC1CCNCC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-piperidin-4-ylbenzamide?
The InChIKey is CLRDMZSSWQQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2,(H,16,17).
What are the key properties of 2,5-difluoro-N-piperidin-4-ylbenzamide?
2,5-difluoro-N-piperidin-4-ylbenzamide has a molecular weight of 240.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 24690587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).