4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one

C187H201Cl9F8N22O25 — CID 158810177

IUPAC4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C#N)cn1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cnccn1)CC2.Cc1ccc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)nc1.Cc1cccnc1CCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccnc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)c1.Cc1coc(C)c1CCCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCc3cccc(Cl)c3)(C1)C2
InChIInChI=1S/C25H26ClFN4O3.2C25H29ClFN3O3.C23H21Cl2FO3.C23H26ClFN4O3.C23H26ClFN2O4.C22H23ClFN3O3.C21H21ClFN3O3/c1-16-11-24(31-22(32)15-34-19-4-5-20(26)21(27)10-19)6-8-25(16,9-7-24)23(33)30-14-18-3-2-17(12-28)13-29-18;1-16-5-10-28-18(11-16)14-29-23(32)25-8-6-24(7-9-25,13-17(25)2)30-22(31)15-33-19-3-4-20(26)21(27)12-19;1-16-3-4-18(28-13-16)14-29-23(32)25-9-7-24(8-10-25,12-17(25)2)30-22(31)15-33-19-5-6-20(26)21(27)11-19;24-16-3-1-2-15(8-16)4-7-21(28)23-12-22(13-23,14-23)10-17(27)11-29-18-5-6-19(25)20(26)9-18;1-15-11-22(29-20(30)14-32-17-2-3-18(24)19(25)10-17)4-6-23(15,7-5-22)21(31)28-13-16-12-26-8-9-27-16;1-14-9-30-15(2)17(14)4-3-7-26-21(29)22-11-23(12-22,13-22)27-20(28)10-31-16-5-6-18(24)19(25)8-16;1-14-3-2-7-25-18(14)6-8-26-20(29)21-11-22(12-21,13-21)27-19(28)10-30-15-4-5-16(23)17(24)9-15;1-13-4-5-24-14(6-13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-2-3-16(22)17(23)7-15/h2-5,10,13,16H,6-9,11,14-15H2,1H3,(H,30,33)(H,31,32);3-5,10-12,17H,6-9,13-15H2,1-2H3,(H,29,32)(H,30,31);3-6,11,13,17H,7-10,12,14-15H2,1-2H3,(H,29,32)(H,30,31);1-3,5-6,8-9H,4,7,10-14H2;2-3,8-10,12,15H,4-7,11,13-14H2,1H3,(H,28,31)(H,29,30);5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,26,29)(H,27,28);2-5,7,9H,6,8,10-13H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,25,28)(H,26,27)
InChIKeyIUOTZRYJRHUHSX-UHFFFAOYSA-N
MW3627.85 g/mol
LogP31.56
Rot. Bonds61

About 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one (PubChem CID 158810177) has the molecular formula C187H201Cl9F8N22O25 and a molecular weight of 3627.85 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one
PubChem CID158810177
Molecular FormulaC187H201Cl9F8N22O25
Molecular Weight3627.85 g/mol
Exact Mass3621.22
IUPAC Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C#N)cn1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cnccn1)CC2.Cc1ccc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)nc1.Cc1cccnc1CCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccnc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)c1.Cc1coc(C)c1CCCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCc3cccc(Cl)c3)(C1)C2
InChIInChI=1S/C25H26ClFN4O3.2C25H29ClFN3O3.C23H21Cl2FO3.C23H26ClFN4O3.C23H26ClFN2O4.C22H23ClFN3O3.C21H21ClFN3O3/c1-16-11-24(31-22(32)15-34-19-4-5-20(26)21(27)10-19)6-8-25(16,9-7-24)23(33)30-14-18-3-2-17(12-28)13-29-18;1-16-5-10-28-18(11-16)14-29-23(32)25-8-6-24(7-9-25,13-17(25)2)30-22(31)15-33-19-3-4-20(26)21(27)12-19;1-16-3-4-18(28-13-16)14-29-23(32)25-9-7-24(8-10-25,12-17(25)2)30-22(31)15-33-19-5-6-20(26)21(27)11-19;24-16-3-1-2-15(8-16)4-7-21(28)23-12-22(13-23,14-23)10-17(27)11-29-18-5-6-19(25)20(26)9-18;1-15-11-22(29-20(30)14-32-17-2-3-18(24)19(25)10-17)4-6-23(15,7-5-22)21(31)28-13-16-12-26-8-9-27-16;1-14-9-30-15(2)17(14)4-3-7-26-21(29)22-11-23(12-22,13-22)27-20(28)10-31-16-5-6-18(24)19(25)8-16;1-14-3-2-7-25-18(14)6-8-26-20(29)21-11-22(12-21,13-21)27-19(28)10-30-15-4-5-16(23)17(24)9-15;1-13-4-5-24-14(6-13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-2-3-16(22)17(23)7-15/h2-5,10,13,16H,6-9,11,14-15H2,1H3,(H,30,33)(H,31,32);3-5,10-12,17H,6-9,13-15H2,1-2H3,(H,29,32)(H,30,31);3-6,11,13,17H,7-10,12,14-15H2,1-2H3,(H,29,32)(H,30,31);1-3,5-6,8-9H,4,7,10-14H2;2-3,8-10,12,15H,4-7,11,13-14H2,1H3,(H,28,31)(H,29,30);5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,26,29)(H,27,28);2-5,7,9H,6,8,10-13H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,25,28)(H,26,27)
InChIKeyIUOTZRYJRHUHSX-UHFFFAOYSA-N
XLogP31.56
TPSA642.54 Ų
H-Bond Donors14
H-Bond Acceptors33
Rotatable Bonds61
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003627.85
LogP ≤ 531.56
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one?
The IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one (CID 158810177) is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one.
What is the SMILES notation for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one?
The canonical SMILES for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one is CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C#N)cn1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cnccn1)CC2.Cc1ccc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)nc1.Cc1cccnc1CCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccnc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)c1.Cc1coc(C)c1CCCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCc3cccc(Cl)c3)(C1)C2.
What is the InChIKey of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one?
The InChIKey is IUOTZRYJRHUHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O3.2C25H29ClFN3O3.C23H21Cl2FO3.C23H26ClFN4O3.C23H26ClFN2O4.C22H23ClFN3O3.C21H21ClFN3O3/c1-16-11-24(31-22(32)15-34-19-4-5-20(26)21(27)10-19)6-8-25(16,9-7-24)23(33)30-14-18-3-2-17(12-28)13-29-18;1-16-5-10-28-18(11-16)14-29-23(32)25-8-6-24(7-9-25,13-17(25)2)30-22(31)15-33-19-3-4-20(26)21(27)12-19;1-16-3-4-18(28-13-16)14-29-23(32)25-9-7-24(8-10-25,12-17(25)2)30-22(31)15-33-19-5-6-20(26)21(27)11-19;24-16-3-1-2-15(8-16)4-7-21(28)23-12-22(13-23,14-23)10-17(27)11-29-18-5-6-19(25)20(26)9-18;1-15-11-22(29-20(30)14-32-17-2-3-18(24)19(25)10-17)4-6-23(15,7-5-22)21(31)28-13-16-12-26-8-9-27-16;1-14-9-30-15(2)17(14)4-3-7-26-21(29)22-11-23(12-22,13-22)27-20(28)10-31-16-5-6-18(24)19(25)8-16;1-14-3-2-7-25-18(14)6-8-26-20(29)21-11-22(12-21,13-21)27-19(28)10-30-15-4-5-16(23)17(24)9-15;1-13-4-5-24-14(6-13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-2-3-16(22)17(23)7-15/h2-5,10,13,16H,6-9,11,14-15H2,1H3,(H,30,33)(H,31,32);3-5,10-12,17H,6-9,13-15H2,1-2H3,(H,29,32)(H,30,31);3-6,11,13,17H,7-10,12,14-15H2,1-2H3,(H,29,32)(H,30,31);1-3,5-6,8-9H,4,7,10-14H2;2-3,8-10,12,15H,4-7,11,13-14H2,1H3,(H,28,31)(H,29,30);5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,26,29)(H,27,28);2-5,7,9H,6,8,10-13H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one?
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one has a molecular weight of 3627.85 g/mol, XLogP of 31.56, 61 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3-chlorophenyl)propan-1-one is sourced from PubChem (CID 158810177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).