2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C20H21ClF4N4O3 — CID 165399670

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCC(c2nnc(C3CC(C(F)(F)F)C3)o2)CC1
InChIInChI=1S/C20H21ClF4N4O3/c21-15-2-1-14(9-16(15)22)31-10-17(30)28-29-5-3-11(4-6-29)18-26-27-19(32-18)12-7-13(8-12)20(23,24)25/h1-2,9,11-13H,3-8,10H2,(H,28,30)
InChIKeyJFMFGKMPAGVSLM-UHFFFAOYSA-N
MW476.86 g/mol
LogP4.21
Rot. Bonds6

About 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 165399670) has the molecular formula C20H21ClF4N4O3 and a molecular weight of 476.86 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID165399670
Molecular FormulaC20H21ClF4N4O3
Molecular Weight476.86 g/mol
Exact Mass476.12
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NN1CCC(c2nnc(C3CC(C(F)(F)F)C3)o2)CC1
InChIInChI=1S/C20H21ClF4N4O3/c21-15-2-1-14(9-16(15)22)31-10-17(30)28-29-5-3-11(4-6-29)18-26-27-19(32-18)12-7-13(8-12)20(23,24)25/h1-2,9,11-13H,3-8,10H2,(H,28,30)
InChIKeyJFMFGKMPAGVSLM-UHFFFAOYSA-N
XLogP4.21
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate
CID 175222959
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
CID 165399649
2-chloro-5-[2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]amino]-2-oxoethoxy]-N-hydroxybenzeneamine oxide
CID 163994338
2-(4-chloro-3-fluorophenoxy)-N-[2-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 169019072
2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457928
2-(4-chloro-3-fluorophenoxy)-N-[2-hydroxy-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]acetamide
CID 155254746
N-[(3R)-3-[5-[3-[bis(methylamino)amino]cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.1.1]hexanyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 137491611
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[3-(trifluoromethoxy)pyrrolidine-1-carbonyl]oxan-3-yl]acetamide
CID 164785900
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 154693316
2-(4-chloro-3-fluorophenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]triazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 163279672

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 165399670) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NN1CCC(c2nnc(C3CC(C(F)(F)F)C3)o2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is JFMFGKMPAGVSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF4N4O3/c21-15-2-1-14(9-16(15)22)31-10-17(30)28-29-5-3-11(4-6-29)18-26-27-19(32-18)12-7-13(8-12)20(23,24)25/h1-2,9,11-13H,3-8,10H2,(H,28,30).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 476.86 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 165399670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).