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

C22H24ClF4N3O3 — CID 167408969

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCC(n2cnc(C3CC(OC(F)(F)F)C3)c2)CC1
InChIInChI=1S/C22H24ClF4N3O3/c23-18-6-5-16(9-19(18)24)32-11-21(31)29-14-1-3-15(4-2-14)30-10-20(28-12-30)13-7-17(8-13)33-22(25,26)27/h5-6,9-10,12-15,17H,1-4,7-8,11H2,(H,29,31)
InChIKeyLCXXRQPBLPOKAJ-UHFFFAOYSA-N
MW489.90 g/mol
LogP5.14
Rot. Bonds7

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

2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide (PubChem CID 167408969) has the molecular formula C22H24ClF4N3O3 and a molecular weight of 489.90 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide
PubChem CID167408969
Molecular FormulaC22H24ClF4N3O3
Molecular Weight489.90 g/mol
Exact Mass489.14
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCC(n2cnc(C3CC(OC(F)(F)F)C3)c2)CC1
InChIInChI=1S/C22H24ClF4N3O3/c23-18-6-5-16(9-19(18)24)32-11-21(31)29-14-1-3-15(4-2-14)30-10-20(28-12-30)13-7-17(8-13)33-22(25,26)27/h5-6,9-10,12-15,17H,1-4,7-8,11H2,(H,29,31)
InChIKeyLCXXRQPBLPOKAJ-UHFFFAOYSA-N
XLogP5.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.90
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
CID 139517471
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-[3-[4-[3-(trifluoromethoxy)cyclobutyl]triazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 163279672
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-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine
CID 159659438
(1S,3S,4S)-4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-hydroxy-N-[3-(trifluoromethoxy)cyclobutyl]cyclohexane-1-carboxamide
CID 176735373
7-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155386722
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
CID 165399649

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide (CID 167408969) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC1CCC(n2cnc(C3CC(OC(F)(F)F)C3)c2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide?
The InChIKey is LCXXRQPBLPOKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF4N3O3/c23-18-6-5-16(9-19(18)24)32-11-21(31)29-14-1-3-15(4-2-14)30-10-20(28-12-30)13-7-17(8-13)33-22(25,26)27/h5-6,9-10,12-15,17H,1-4,7-8,11H2,(H,29,31).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide has a molecular weight of 489.90 g/mol, XLogP of 5.14, 7 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-[4-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]cyclohexyl]acetamide is sourced from PubChem (CID 167408969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).