N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

C26H24F4N2O — CID 46055052

IUPACN-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H24F4N2O/c27-21-10-12-22(13-11-21)32(25(33)19-6-2-1-3-7-19)23-14-16-31(17-15-23)18-20-8-4-5-9-24(20)26(28,29)30/h1-13,23H,14-18H2
InChIKeyBMPFEVYYJULUFG-UHFFFAOYSA-N
MW456.48 g/mol
LogP6.16
Rot. Bonds5

About N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 46055052) has the molecular formula C26H24F4N2O and a molecular weight of 456.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID46055052
Molecular FormulaC26H24F4N2O
Molecular Weight456.48 g/mol
Exact Mass456.18
IUPAC NameN-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESO=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H24F4N2O/c27-21-10-12-22(13-11-21)32(25(33)19-6-2-1-3-7-19)23-14-16-31(17-15-23)18-20-8-4-5-9-24(20)26(28,29)30/h1-13,23H,14-18H2
InChIKeyBMPFEVYYJULUFG-UHFFFAOYSA-N
XLogP6.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 46055052) is N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is BMPFEVYYJULUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N2O/c27-21-10-12-22(13-11-21)32(25(33)19-6-2-1-3-7-19)23-14-16-31(17-15-23)18-20-8-4-5-9-24(20)26(28,29)30/h1-13,23H,14-18H2.
What are the key properties of N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 456.48 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46055052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).