2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C13H16ClF3N2O — CID 120556103

IUPAC2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(F)c(F)c1F.Cl
InChIInChI=1S/C13H15F3N2O.ClH/c1-7-6-17-5-4-10(7)18-13(19)8-2-3-9(14)12(16)11(8)15;/h2-3,7,10,17H,4-6H2,1H3,(H,18,19);1H
InChIKeyQJJYNGDQJOHYJH-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.25
Rot. Bonds2

About 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120556103) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120556103
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(F)c(F)c1F.Cl
InChIInChI=1S/C13H15F3N2O.ClH/c1-7-6-17-5-4-10(7)18-13(19)8-2-3-9(14)12(16)11(8)15;/h2-3,7,10,17H,4-6H2,1H3,(H,18,19);1H
InChIKeyQJJYNGDQJOHYJH-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2-fluoro-4-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555140
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120556103) is 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(F)c(F)c1F.Cl.
What is the InChIKey of 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is QJJYNGDQJOHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c1-7-6-17-5-4-10(7)18-13(19)8-2-3-9(14)12(16)11(8)15;/h2-3,7,10,17H,4-6H2,1H3,(H,18,19);1H.
What are the key properties of 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120556103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).