5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide

C22H24F2N2O2 — CID 118120359

IUPAC5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C22H24F2N2O2/c23-16-3-5-17(6-4-16)28-18-7-9-26(10-8-18)13-15-11-21(24)20(22(25)27)12-19(15)14-1-2-14/h3-6,11-12,14,18H,1-2,7-10,13H2,(H2,25,27)
InChIKeyBDEZBUPLSPXIGR-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.98
Rot. Bonds6

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

5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide (PubChem CID 118120359) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide
PubChem CID118120359
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C22H24F2N2O2/c23-16-3-5-17(6-4-16)28-18-7-9-26(10-8-18)13-15-11-21(24)20(22(25)27)12-19(15)14-1-2-14/h3-6,11-12,14,18H,1-2,7-10,13H2,(H2,25,27)
InChIKeyBDEZBUPLSPXIGR-UHFFFAOYSA-N
XLogP3.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.98
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]-N-oxobenzamide
CID 144850175
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide
CID 118120750
5-cyclopropyl-2-fluoro-4-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 174984705
cyclopropanesulfinate;5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
CID 169426454
5-cyclopropyl-2-fluoro-N-oxo-4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
CID 144850879
4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid
CID 118120756
tert-butyl 5-cyclopropyl-4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzoate
CID 118110666
5-cyclopropyl-4-[[(5S)-3-(3,5-dichlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-fluorobenzoic acid
CID 126732930
N-[[5-cyclopropyl-2-fluoro-4-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]phenyl]methoxymethyl]-N-hydroxymethanesulfinamide
CID 162572308
acetic acid;4-[[4-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate
CID 159248175
acetic acid;N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[[4-(3,5-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
CID 162329191
5-cyclopropyl-4-[[4-(3,5-dichlorophenoxy)sulfonylpiperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 146462015

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide (CID 118120359) is 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide is NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(F)cc3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide?
The InChIKey is BDEZBUPLSPXIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-16-3-5-17(6-4-16)28-18-7-9-26(10-8-18)13-15-11-21(24)20(22(25)27)12-19(15)14-1-2-14/h3-6,11-12,14,18H,1-2,7-10,13H2,(H2,25,27).
What are the key properties of 5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide?
5-cyclopropyl-2-fluoro-4-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide has a molecular weight of 386.44 g/mol, XLogP of 3.98, 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-(4-fluorophenoxy)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 118120359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).