5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide

C23H24F4N2O2 — CID 118120675

IUPAC5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1F
InChIInChI=1S/C23H24F4N2O2/c24-21-10-15(19(14-4-5-14)12-20(21)22(28)30)13-29-8-6-17(7-9-29)31-18-3-1-2-16(11-18)23(25,26)27/h1-3,10-12,14,17H,4-9,13H2,(H2,28,30)
InChIKeyQOYNPHSQBLCXLW-UHFFFAOYSA-N
MW436.45 g/mol
LogP4.86
Rot. Bonds6

About 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide

5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide (PubChem CID 118120675) has the molecular formula C23H24F4N2O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
PubChem CID118120675
Molecular FormulaC23H24F4N2O2
Molecular Weight436.45 g/mol
Exact Mass436.18
IUPAC Name5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1F
InChIInChI=1S/C23H24F4N2O2/c24-21-10-15(19(14-4-5-14)12-20(21)22(28)30)13-29-8-6-17(7-9-29)31-18-3-1-2-16(11-18)23(25,26)27/h1-3,10-12,14,17H,4-9,13H2,(H2,28,30)
InChIKeyQOYNPHSQBLCXLW-UHFFFAOYSA-N
XLogP4.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide (CID 118120675) is 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide is NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The InChIKey is QOYNPHSQBLCXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O2/c24-21-10-15(19(14-4-5-14)12-20(21)22(28)30)13-29-8-6-17(7-9-29)31-18-3-1-2-16(11-18)23(25,26)27/h1-3,10-12,14,17H,4-9,13H2,(H2,28,30).
What are the key properties of 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide has a molecular weight of 436.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 118120675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).