2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide

C15H14F6N2O2 — CID 108932810

IUPAC2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F6N2O2/c16-10-2-1-9(11(17)12(10)18)13(24)22-7-8-3-5-23(6-4-8)14(25)15(19,20)21/h1-2,8H,3-7H2,(H,22,24)
InChIKeyXBEBNICKLOSXBG-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.63
Rot. Bonds3

About 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide

2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide (PubChem CID 108932810) has the molecular formula C15H14F6N2O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide
PubChem CID108932810
Molecular FormulaC15H14F6N2O2
Molecular Weight368.28 g/mol
Exact Mass368.10
IUPAC Name2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F6N2O2/c16-10-2-1-9(11(17)12(10)18)13(24)22-7-8-3-5-23(6-4-8)14(25)15(19,20)21/h1-2,8H,3-7H2,(H,22,24)
InChIKeyXBEBNICKLOSXBG-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110736173
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2,3,4-trifluorobenzamide
CID 108935387
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120636550
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71866670
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
tert-butyl N-[3-oxo-3-[[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919405
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
CID 79749991
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide (CID 108932810) is 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is XBEBNICKLOSXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N2O2/c16-10-2-1-9(11(17)12(10)18)13(24)22-7-8-3-5-23(6-4-8)14(25)15(19,20)21/h1-2,8H,3-7H2,(H,22,24).
What are the key properties of 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide?
2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 368.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 108932810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).