2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide

C20H23ClF4N2O5 — CID 139517499

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCN(C(=O)COC2CC(OC(F)(F)F)C2)CC1
InChIInChI=1S/C20H23ClF4N2O5/c21-16-2-1-13(9-17(16)22)30-10-18(28)26-12-3-5-27(6-4-12)19(29)11-31-14-7-15(8-14)32-20(23,24)25/h1-2,9,12,14-15H,3-8,10-11H2,(H,26,28)
InChIKeyWMPVXRWYAGGINK-UHFFFAOYSA-N
MW482.86 g/mol
LogP3.05
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide (PubChem CID 139517499) has the molecular formula C20H23ClF4N2O5 and a molecular weight of 482.86 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
PubChem CID139517499
Molecular FormulaC20H23ClF4N2O5
Molecular Weight482.86 g/mol
Exact Mass482.12
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCN(C(=O)COC2CC(OC(F)(F)F)C2)CC1
InChIInChI=1S/C20H23ClF4N2O5/c21-16-2-1-13(9-17(16)22)30-10-18(28)26-12-3-5-27(6-4-12)19(29)11-31-14-7-15(8-14)32-20(23,24)25/h1-2,9,12,14-15H,3-8,10-11H2,(H,26,28)
InChIKeyWMPVXRWYAGGINK-UHFFFAOYSA-N
XLogP3.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
CID 139517471
2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide
CID 167408969
2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
CID 170085594
2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide
CID 139517484
2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 139517541
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[3-(trifluoromethoxy)pyrrolidine-1-carbonyl]oxan-3-yl]acetamide
CID 164785900
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 155634440
6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
CID 139517687
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.1]heptanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 155262052
tert-butyl (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[[3-(trifluoromethoxy)cyclobutanecarbonyl]amino]carbamoyl]piperidine-1-carboxylate
CID 175746243
N-(5-chloro-1,3-benzothiazol-2-yl)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidine-1-carboxamide
CID 167345608

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide (CID 139517499) is 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC1CCN(C(=O)COC2CC(OC(F)(F)F)C2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide?
The InChIKey is WMPVXRWYAGGINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF4N2O5/c21-16-2-1-13(9-17(16)22)30-10-18(28)26-12-3-5-27(6-4-12)19(29)11-31-14-7-15(8-14)32-20(23,24)25/h1-2,9,12,14-15H,3-8,10-11H2,(H,26,28).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide has a molecular weight of 482.86 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 139517499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).