2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

C86H89Cl3F12N12O14 — CID 163859148

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESCC(F)(F)OC1CC(c2nnc(C34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)C1.CC(F)(F)OC1CC(c2nnc(C34CC(NC(=O)COc5ccc(Cl)cc5)(C3)C4)o2)C1.Cc1cc(OCC(=O)NC23CC(n4cnc(C5CC(OC(F)(F)F)C5)c4)(C2)C3)ccc1Cl.Cc1ccc(-c2cn(C34CC(NC(=O)COC5CC(OC(F)(F)F)C5)(C3)C4)cn2)cc1F
InChIInChI=1S/C22H23ClF3N3O3.C22H23F4N3O3.C21H21ClF3N3O4.C21H22ClF2N3O4/c1-13-4-15(2-3-17(13)23)31-8-19(30)28-20-9-21(10-20,11-20)29-7-18(27-12-29)14-5-16(6-14)32-22(24,25)26;1-13-2-3-14(4-17(13)23)18-7-29(12-27-18)21-9-20(10-21,11-21)28-19(30)8-31-15-5-16(6-15)32-22(24,25)26;1-19(24,25)32-13-4-11(5-13)17-27-28-18(31-17)20-8-21(9-20,10-20)26-16(29)7-30-12-2-3-14(22)15(23)6-12;1-19(23,24)31-15-6-12(7-15)17-26-27-18(30-17)20-9-21(10-20,11-20)25-16(28)8-29-14-4-2-13(22)3-5-14/h2-4,7,12,14,16H,5-6,8-11H2,1H3,(H,28,30);2-4,7,12,15-16H,5-6,8-11H2,1H3,(H,28,30);2-3,6,11,13H,4-5,7-10H2,1H3,(H,26,29);2-5,12,15H,6-11H2,1H3,(H,25,28)
InChIKeyPAYZSTWLEYAXLN-UHFFFAOYSA-N
MW1849.06 g/mol
LogP16.36
Rot. Bonds30

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (PubChem CID 163859148) has the molecular formula C86H89Cl3F12N12O14 and a molecular weight of 1849.06 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
PubChem CID163859148
Molecular FormulaC86H89Cl3F12N12O14
Molecular Weight1849.06 g/mol
Exact Mass1846.55
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESCC(F)(F)OC1CC(c2nnc(C34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)C1.CC(F)(F)OC1CC(c2nnc(C34CC(NC(=O)COc5ccc(Cl)cc5)(C3)C4)o2)C1.Cc1cc(OCC(=O)NC23CC(n4cnc(C5CC(OC(F)(F)F)C5)c4)(C2)C3)ccc1Cl.Cc1ccc(-c2cn(C34CC(NC(=O)COC5CC(OC(F)(F)F)C5)(C3)C4)cn2)cc1F
InChIInChI=1S/C22H23ClF3N3O3.C22H23F4N3O3.C21H21ClF3N3O4.C21H22ClF2N3O4/c1-13-4-15(2-3-17(13)23)31-8-19(30)28-20-9-21(10-20,11-20)29-7-18(27-12-29)14-5-16(6-14)32-22(24,25)26;1-13-2-3-14(4-17(13)23)18-7-29(12-27-18)21-9-20(10-21,11-21)28-19(30)8-31-15-5-16(6-15)32-22(24,25)26;1-19(24,25)32-13-4-11(5-13)17-27-28-18(31-17)20-8-21(9-20,10-20)26-16(29)7-30-12-2-3-14(22)15(23)6-12;1-19(23,24)31-15-6-12(7-15)17-26-27-18(30-17)20-9-21(10-20,11-20)25-16(28)8-29-14-4-2-13(22)3-5-14/h2-4,7,12,14,16H,5-6,8-11H2,1H3,(H,28,30);2-4,7,12,15-16H,5-6,8-11H2,1H3,(H,28,30);2-3,6,11,13H,4-5,7-10H2,1H3,(H,26,29);2-5,12,15H,6-11H2,1H3,(H,25,28)
InChIKeyPAYZSTWLEYAXLN-UHFFFAOYSA-N
XLogP16.36
TPSA303.72 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.06
LogP ≤ 516.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide with MolForge

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(1R,2R)-2-ethylcyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 167661758
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(3-methylphenyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 159277016

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (CID 163859148) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is CC(F)(F)OC1CC(c2nnc(C34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)C1.CC(F)(F)OC1CC(c2nnc(C34CC(NC(=O)COc5ccc(Cl)cc5)(C3)C4)o2)C1.Cc1cc(OCC(=O)NC23CC(n4cnc(C5CC(OC(F)(F)F)C5)c4)(C2)C3)ccc1Cl.Cc1ccc(-c2cn(C34CC(NC(=O)COC5CC(OC(F)(F)F)C5)(C3)C4)cn2)cc1F.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The InChIKey is PAYZSTWLEYAXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O3.C22H23F4N3O3.C21H21ClF3N3O4.C21H22ClF2N3O4/c1-13-4-15(2-3-17(13)23)31-8-19(30)28-20-9-21(10-20,11-20)29-7-18(27-12-29)14-5-16(6-14)32-22(24,25)26;1-13-2-3-14(4-17(13)23)18-7-29(12-27-18)21-9-20(10-21,11-21)28-19(30)8-31-15-5-16(6-15)32-22(24,25)26;1-19(24,25)32-13-4-11(5-13)17-27-28-18(31-17)20-8-21(9-20,10-20)26-16(29)7-30-12-2-3-14(22)15(23)6-12;1-19(23,24)31-15-6-12(7-15)17-26-27-18(30-17)20-9-21(10-20,11-20)25-16(28)8-29-14-4-2-13(22)3-5-14/h2-4,7,12,14,16H,5-6,8-11H2,1H3,(H,28,30);2-4,7,12,15-16H,5-6,8-11H2,1H3,(H,28,30);2-3,6,11,13H,4-5,7-10H2,1H3,(H,26,29);2-5,12,15H,6-11H2,1H3,(H,25,28).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide has a molecular weight of 1849.06 g/mol, XLogP of 16.36, 30 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chlorophenoxy)-N-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is sourced from PubChem (CID 163859148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).