2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

C14H19ClF2N2O — CID 119474254

IUPAC2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1cccc(F)c1F)C1CCCNC1.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-9(10-4-3-7-17-8-10)18-14(19)11-5-2-6-12(15)13(11)16;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H
InChIKeyHHPYEDBRLQXXHD-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.50
Rot. Bonds3

About 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119474254) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119474254
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1cccc(F)c1F)C1CCCNC1.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-9(10-4-3-7-17-8-10)18-14(19)11-5-2-6-12(15)13(11)16;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H
InChIKeyHHPYEDBRLQXXHD-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119473992
2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 115736933
N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096
2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 103806068
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 62046369
2-fluoro-4-methoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474156
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119474254) is 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is CC(NC(=O)c1cccc(F)c1F)C1CCCNC1.Cl.
What is the InChIKey of 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is HHPYEDBRLQXXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c1-9(10-4-3-7-17-8-10)18-14(19)11-5-2-6-12(15)13(11)16;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H.
What are the key properties of 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119474254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).