2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide

C19H22ClF4NO5 — CID 139517471

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CC(OCCOC2CC(OC(F)(F)F)C2)C1
InChIInChI=1S/C19H22ClF4NO5/c20-16-2-1-12(9-17(16)21)29-10-18(26)25-11-5-13(6-11)27-3-4-28-14-7-15(8-14)30-19(22,23)24/h1-2,9,11,13-15H,3-8,10H2,(H,25,26)
InChIKeyMTWRYTSKPXTOIJ-UHFFFAOYSA-N
MW455.83 g/mol
LogP3.61
Rot. Bonds10

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide (PubChem CID 139517471) has the molecular formula C19H22ClF4NO5 and a molecular weight of 455.83 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
PubChem CID139517471
Molecular FormulaC19H22ClF4NO5
Molecular Weight455.83 g/mol
Exact Mass455.11
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CC(OCCOC2CC(OC(F)(F)F)C2)C1
InChIInChI=1S/C19H22ClF4NO5/c20-16-2-1-12(9-17(16)21)29-10-18(26)25-11-5-13(6-11)27-3-4-28-14-7-15(8-14)30-19(22,23)24/h1-2,9,11,13-15H,3-8,10H2,(H,25,26)
InChIKeyMTWRYTSKPXTOIJ-UHFFFAOYSA-N
XLogP3.61
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
CID 139517499
2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide
CID 167408969
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 155634440
(1S,3S,4S)-4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-hydroxy-N-[3-(trifluoromethoxy)cyclobutyl]cyclohexane-1-carboxamide
CID 176735373
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
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-[(3S,6R)-6-[3-(trifluoromethoxy)pyrrolidine-1-carbonyl]oxan-3-yl]acetamide
CID 164785900
tert-butyl (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[[3-(trifluoromethoxy)cyclobutanecarbonyl]amino]carbamoyl]piperidine-1-carboxylate
CID 175746243
2-(4-chloro-3-fluorophenoxy)-N-[4-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]-3,5-dimethylcyclohexyl]acetamide
CID 166788581
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide
CID 175510803
2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
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-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide (CID 139517471) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC1CC(OCCOC2CC(OC(F)(F)F)C2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide?
The InChIKey is MTWRYTSKPXTOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF4NO5/c20-16-2-1-12(9-17(16)21)29-10-18(26)25-11-5-13(6-11)27-3-4-28-14-7-15(8-14)30-19(22,23)24/h1-2,9,11,13-15H,3-8,10H2,(H,25,26).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide has a molecular weight of 455.83 g/mol, XLogP of 3.61, 10 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-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide is sourced from PubChem (CID 139517471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).