1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide

C185H163Cl8F19N20O26 — CID 159100303

IUPAC1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
SMILESCC(F)(F)c1ccc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cn1.CC(F)(F)c1ccc(NC23CC(CC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.CC(F)(F)c1ccc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.CC(F)(F)c1cnc(NC23CC(CC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1ccc(-c2nc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)co2)cc1F.Cc1ccc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)c4ccc(-c5ccc(Cl)c(F)c5)o4)(C2)C3)cc1F.Cc1ncc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cn1
InChIInChI=1S/C26H22ClF2NO4.C25H21ClF3N3O4.2C25H21ClF2N2O4.C23H20ClFN4O4.C21H20ClF3N2O2.2C20H19ClF3N3O2/c1-15-2-4-17(9-19(15)28)33-11-24(32)30-26-12-25(13-26,14-26)10-21(31)23-7-6-22(34-23)16-3-5-18(27)20(29)8-16;1-23(28,29)20-5-2-14(8-30-20)22-31-9-19(36-22)18(33)7-24-11-25(12-24,13-24)32-21(34)10-35-15-3-4-16(26)17(27)6-15;1-14-2-3-15(6-18(14)27)23-29-20(9-34-23)21(31)8-24-11-25(12-24,13-24)30-22(32)10-33-16-4-5-17(26)19(28)7-16;1-14-2-3-15(6-18(14)27)23-29-9-21(34-23)20(31)8-24-11-25(12-24,13-24)30-22(32)10-33-16-4-5-17(26)19(28)7-16;1-13-26-6-14(7-27-13)21-28-8-19(33-21)18(30)5-22-10-23(11-22,12-22)29-20(31)9-32-15-2-3-16(24)17(25)4-15;1-19(24,25)13-2-5-18(26-8-13)27-21-10-20(11-21,12-21)7-14(28)9-29-15-3-4-16(22)17(23)6-15;1-18(23,24)16-5-2-12(7-25-16)26-19-9-20(10-19,11-19)27-17(28)8-29-13-3-4-14(21)15(22)6-13;1-18(23,24)16-6-26-17(7-25-16)27-20-9-19(10-20,11-20)5-12(28)8-29-13-2-3-14(21)15(22)4-13/h2-9H,10-14H2,1H3,(H,30,32);2-6,8-9H,7,10-13H2,1H3,(H,32,34);2*2-7,9H,8,10-13H2,1H3,(H,30,32);2-4,6-8H,5,9-12H2,1H3,(H,29,31);2-6,8H,7,9-12H2,1H3,(H,26,27);2-7,26H,8-11H2,1H3,(H,27,28);2-4,6-7H,5,8-11H2,1H3,(H,26,27)
InChIKeyKDERRUZXCUEVJY-UHFFFAOYSA-N
MW3727.04 g/mol
LogP40.06
Rot. Bonds64

About 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide

1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide (PubChem CID 159100303) has the molecular formula C185H163Cl8F19N20O26 and a molecular weight of 3727.04 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
PubChem CID159100303
Molecular FormulaC185H163Cl8F19N20O26
Molecular Weight3727.04 g/mol
Exact Mass3720.93
IUPAC Name1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
SMILESCC(F)(F)c1ccc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cn1.CC(F)(F)c1ccc(NC23CC(CC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.CC(F)(F)c1ccc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.CC(F)(F)c1cnc(NC23CC(CC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1ccc(-c2nc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)co2)cc1F.Cc1ccc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)c4ccc(-c5ccc(Cl)c(F)c5)o4)(C2)C3)cc1F.Cc1ncc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cn1
InChIInChI=1S/C26H22ClF2NO4.C25H21ClF3N3O4.2C25H21ClF2N2O4.C23H20ClFN4O4.C21H20ClF3N2O2.2C20H19ClF3N3O2/c1-15-2-4-17(9-19(15)28)33-11-24(32)30-26-12-25(13-26,14-26)10-21(31)23-7-6-22(34-23)16-3-5-18(27)20(29)8-16;1-23(28,29)20-5-2-14(8-30-20)22-31-9-19(36-22)18(33)7-24-11-25(12-24,13-24)32-21(34)10-35-15-3-4-16(26)17(27)6-15;1-14-2-3-15(6-18(14)27)23-29-20(9-34-23)21(31)8-24-11-25(12-24,13-24)30-22(32)10-33-16-4-5-17(26)19(28)7-16;1-14-2-3-15(6-18(14)27)23-29-9-21(34-23)20(31)8-24-11-25(12-24,13-24)30-22(32)10-33-16-4-5-17(26)19(28)7-16;1-13-26-6-14(7-27-13)21-28-8-19(33-21)18(30)5-22-10-23(11-22,12-22)29-20(31)9-32-15-2-3-16(24)17(25)4-15;1-19(24,25)13-2-5-18(26-8-13)27-21-10-20(11-21,12-21)7-14(28)9-29-15-3-4-16(22)17(23)6-15;1-18(23,24)16-5-2-12(7-25-16)26-19-9-20(10-19,11-19)27-17(28)8-29-13-3-4-14(21)15(22)6-13;1-18(23,24)16-6-26-17(7-25-16)27-20-9-19(10-20,11-20)5-12(28)8-29-13-2-3-14(21)15(22)4-13/h2-9H,10-14H2,1H3,(H,30,32);2-6,8-9H,7,10-13H2,1H3,(H,32,34);2*2-7,9H,8,10-13H2,1H3,(H,30,32);2-4,6-8H,5,9-12H2,1H3,(H,29,31);2-6,8H,7,9-12H2,1H3,(H,26,27);2-7,26H,8-11H2,1H3,(H,27,28);2-4,6-7H,5,8-11H2,1H3,(H,26,27)
InChIKeyKDERRUZXCUEVJY-UHFFFAOYSA-N
XLogP40.06
TPSA611.51 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds64
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003727.04
LogP ≤ 540.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide?
The IUPAC name of 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide (CID 159100303) is 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide is CC(F)(F)c1ccc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cn1.CC(F)(F)c1ccc(NC23CC(CC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.CC(F)(F)c1ccc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.CC(F)(F)c1cnc(NC23CC(CC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1ccc(-c2nc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)co2)cc1F.Cc1ccc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)c4ccc(-c5ccc(Cl)c(F)c5)o4)(C2)C3)cc1F.Cc1ncc(-c2ncc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)o2)cn1.
What is the InChIKey of 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide?
The InChIKey is KDERRUZXCUEVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2NO4.C25H21ClF3N3O4.2C25H21ClF2N2O4.C23H20ClFN4O4.C21H20ClF3N2O2.2C20H19ClF3N3O2/c1-15-2-4-17(9-19(15)28)33-11-24(32)30-26-12-25(13-26,14-26)10-21(31)23-7-6-22(34-23)16-3-5-18(27)20(29)8-16;1-23(28,29)20-5-2-14(8-30-20)22-31-9-19(36-22)18(33)7-24-11-25(12-24,13-24)32-21(34)10-35-15-3-4-16(26)17(27)6-15;1-14-2-3-15(6-18(14)27)23-29-20(9-34-23)21(31)8-24-11-25(12-24,13-24)30-22(32)10-33-16-4-5-17(26)19(28)7-16;1-14-2-3-15(6-18(14)27)23-29-9-21(34-23)20(31)8-24-11-25(12-24,13-24)30-22(32)10-33-16-4-5-17(26)19(28)7-16;1-13-26-6-14(7-27-13)21-28-8-19(33-21)18(30)5-22-10-23(11-22,12-22)29-20(31)9-32-15-2-3-16(24)17(25)4-15;1-19(24,25)13-2-5-18(26-8-13)27-21-10-20(11-21,12-21)7-14(28)9-29-15-3-4-16(22)17(23)6-15;1-18(23,24)16-5-2-12(7-25-16)26-19-9-20(10-19,11-19)27-17(28)8-29-13-3-4-14(21)15(22)6-13;1-18(23,24)16-6-26-17(7-25-16)27-20-9-19(10-20,11-20)5-12(28)8-29-13-2-3-14(21)15(22)4-13/h2-9H,10-14H2,1H3,(H,30,32);2-6,8-9H,7,10-13H2,1H3,(H,32,34);2*2-7,9H,8,10-13H2,1H3,(H,30,32);2-4,6-8H,5,9-12H2,1H3,(H,29,31);2-6,8H,7,9-12H2,1H3,(H,26,27);2-7,26H,8-11H2,1H3,(H,27,28);2-4,6-7H,5,8-11H2,1H3,(H,26,27).
What are the key properties of 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide?
1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide has a molecular weight of 3727.04 g/mol, XLogP of 40.06, 64 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[[6-(1,1-difluoroethyl)-3-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-fluorophenoxy)-3-[3-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(2-methylpyrimidin-5-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[2-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide is sourced from PubChem (CID 159100303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).