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

C23H22F4N2O3 — CID 144850879

IUPAC5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
SMILESO=NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1F
InChIInChI=1S/C23H22F4N2O3/c24-21-10-15(19(14-4-5-14)12-20(21)22(30)28-31)13-29-8-6-17(7-9-29)32-18-3-1-2-16(11-18)23(25,26)27/h1-3,10-12,14,17H,4-9,13H2
InChIKeyPXFOUYLCNPEQJB-UHFFFAOYSA-N
MW450.43 g/mol
LogP5.67
Rot. Bonds6

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

5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide (PubChem CID 144850879) has the molecular formula C23H22F4N2O3 and a molecular weight of 450.43 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
PubChem CID144850879
Molecular FormulaC23H22F4N2O3
Molecular Weight450.43 g/mol
Exact Mass450.16
IUPAC Name5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
SMILESO=NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1F
InChIInChI=1S/C23H22F4N2O3/c24-21-10-15(19(14-4-5-14)12-20(21)22(30)28-31)13-29-8-6-17(7-9-29)32-18-3-1-2-16(11-18)23(25,26)27/h1-3,10-12,14,17H,4-9,13H2
InChIKeyPXFOUYLCNPEQJB-UHFFFAOYSA-N
XLogP5.67
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide (CID 144850879) is 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide is O=NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The InChIKey is PXFOUYLCNPEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N2O3/c24-21-10-15(19(14-4-5-14)12-20(21)22(30)28-31)13-29-8-6-17(7-9-29)32-18-3-1-2-16(11-18)23(25,26)27/h1-3,10-12,14,17H,4-9,13H2.
What are the key properties of 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide has a molecular weight of 450.43 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 144850879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).