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

C23H23ClF4N2O2 — CID 118120750

IUPAC4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1F
InChIInChI=1S/C23H23ClF4N2O2/c24-20-4-3-16(10-19(20)23(26,27)28)32-15-5-7-30(8-6-15)12-14-9-21(25)18(22(29)31)11-17(14)13-1-2-13/h3-4,9-11,13,15H,1-2,5-8,12H2,(H2,29,31)
InChIKeyUZRZJAZLNOSCCF-UHFFFAOYSA-N
MW470.89 g/mol
LogP5.52
Rot. Bonds6

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

4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide (PubChem CID 118120750) has the molecular formula C23H23ClF4N2O2 and a molecular weight of 470.89 g/mol. Its IUPAC name is 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
PubChem CID118120750
Molecular FormulaC23H23ClF4N2O2
Molecular Weight470.89 g/mol
Exact Mass470.14
IUPAC Name4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1F
InChIInChI=1S/C23H23ClF4N2O2/c24-20-4-3-16(10-19(20)23(26,27)28)32-15-5-7-30(8-6-15)12-14-9-21(25)18(22(29)31)11-17(14)13-1-2-13/h3-4,9-11,13,15H,1-2,5-8,12H2,(H2,29,31)
InChIKeyUZRZJAZLNOSCCF-UHFFFAOYSA-N
XLogP5.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.89
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide
CID 118120359
5-cyclopropyl-2-fluoro-4-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 174984705
acetic acid;4-[[4-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate
CID 159248175
4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid
CID 118120756
5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
CID 144850879
cyclopropanesulfinate;5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
CID 169426454
5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-N-oxobenzamide
CID 144850175
tert-butyl 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzoate
CID 118110666
tert-butyl 4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzoate
CID 118120583
4-[[4-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-4-methylpiperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid
CID 118120589
4-[[4-[(3-chloro-5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]methyl]-5-cyclopropyl-N-cyclopropylsulfanyl-2-fluorobenzamide
CID 144850388
N-[[5-cyclopropyl-2-fluoro-4-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]phenyl]methoxymethyl]-N-hydroxymethanesulfinamide
CID 162572308

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide (CID 118120750) is 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide is NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1F.
What is the InChIKey of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
The InChIKey is UZRZJAZLNOSCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF4N2O2/c24-20-4-3-16(10-19(20)23(26,27)28)32-15-5-7-30(8-6-15)12-14-9-21(25)18(22(29)31)11-17(14)13-1-2-13/h3-4,9-11,13,15H,1-2,5-8,12H2,(H2,29,31).
What are the key properties of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide?
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide has a molecular weight of 470.89 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 118120750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).