2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C14H17ClF4N2O — CID 119555428

IUPAC2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H16F4N2O.ClH/c15-9-6-10(16)13(18)11(12(9)17)14(21)20-5-3-8-2-1-4-19-7-8;/h6,8,19H,1-5,7H2,(H,20,21);1H
InChIKeyWJAMLEBMMQXVIO-UHFFFAOYSA-N
MW340.75 g/mol
LogP2.78
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119555428) has the molecular formula C14H17ClF4N2O and a molecular weight of 340.75 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119555428
Molecular FormulaC14H17ClF4N2O
Molecular Weight340.75 g/mol
Exact Mass340.10
IUPAC Name2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H16F4N2O.ClH/c15-9-6-10(16)13(18)11(12(9)17)14(21)20-5-3-8-2-1-4-19-7-8;/h6,8,19H,1-5,7H2,(H,20,21);1H
InChIKeyWJAMLEBMMQXVIO-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide
CID 155952445
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119555428) is 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is WJAMLEBMMQXVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O.ClH/c15-9-6-10(16)13(18)11(12(9)17)14(21)20-5-3-8-2-1-4-19-7-8;/h6,8,19H,1-5,7H2,(H,20,21);1H.
What are the key properties of 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 340.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119555428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).