3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one

C187H204Cl8F12N20O26 — CID 162282230

IUPAC3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one
SMILESCC(C)c1coc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)c1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cncc(F)c1)CC2.Cc1cc(C)c(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)cn1.Cc1ccc(C)c(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cccc([C@@H](C)NC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cn1nccc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCCc3cnc[nH]3)(C1)C2
InChIInChI=1S/C26H27ClF4N2O3.C26H31ClFN3O3.C25H30ClFN2O5.C24H26ClF2N3O3.2C23H24ClFN2O3.C21H22ClFN2O3.C19H20ClFN4O3/c1-16-13-24(33-22(34)15-36-19-6-7-20(27)21(28)12-19)8-10-25(16,11-9-24)23(35)32-14-17-2-4-18(5-3-17)26(29,30)31;1-16-10-18(3)29-13-19(16)14-30-24(33)26-8-6-25(7-9-26,12-17(26)2)31-23(32)15-34-20-4-5-21(27)22(28)11-20;1-15(2)16-9-18(33-13-16)12-28-23(32)25-7-5-24(6-8-25,11-21(25)30)29-22(31)14-34-17-3-4-19(26)20(27)10-17;1-15-10-23(30-21(31)14-33-18-2-3-19(25)20(27)9-18)4-6-24(15,7-5-23)22(32)29-12-16-8-17(26)13-28-11-16;1-14-3-4-15(2)16(7-14)9-26-21(29)22-11-23(12-22,13-22)27-20(28)10-30-17-5-6-18(24)19(25)8-17;1-14-4-3-5-16(8-14)15(2)26-21(29)22-11-23(12-22,13-22)27-20(28)10-30-17-6-7-18(24)19(25)9-17;22-17-5-4-16(6-18(17)23)28-9-15(26)7-20-10-21(11-20,12-20)19(27)3-1-2-14-8-24-13-25-14;1-25-12(4-5-23-25)7-22-17(27)18-9-19(10-18,11-18)24-16(26)8-28-13-2-3-14(20)15(21)6-13/h2-7,12,16H,8-11,13-15H2,1H3,(H,32,35)(H,33,34);4-5,10-11,13,17H,6-9,12,14-15H2,1-3H3,(H,30,33)(H,31,32);3-4,9-10,13,15,21,30H,5-8,11-12,14H2,1-2H3,(H,28,32)(H,29,31);2-3,8-9,11,13,15H,4-7,10,12,14H2,1H3,(H,29,32)(H,30,31);3-8H,9-13H2,1-2H3,(H,26,29)(H,27,28);3-9,15H,10-13H2,1-2H3,(H,26,29)(H,27,28);4-6,8,13H,1-3,7,9-12H2,(H,24,25);2-6H,7-11H2,1H3,(H,22,27)(H,24,26)/t;;;;;15-,22?,23?;;/m.....1../s1
InChIKeyJLQNXHOIDLBHHS-LSLJVRPNSA-N
MW3659.40 g/mol
LogP32.69
Rot. Bonds60

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one (PubChem CID 162282230) has the molecular formula C187H204Cl8F12N20O26 and a molecular weight of 3659.40 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one
PubChem CID162282230
Molecular FormulaC187H204Cl8F12N20O26
Molecular Weight3659.40 g/mol
Exact Mass3653.26
IUPAC Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one
SMILESCC(C)c1coc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)c1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cncc(F)c1)CC2.Cc1cc(C)c(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)cn1.Cc1ccc(C)c(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cccc([C@@H](C)NC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cn1nccc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCCc3cnc[nH]3)(C1)C2
InChIInChI=1S/C26H27ClF4N2O3.C26H31ClFN3O3.C25H30ClFN2O5.C24H26ClF2N3O3.2C23H24ClFN2O3.C21H22ClFN2O3.C19H20ClFN4O3/c1-16-13-24(33-22(34)15-36-19-6-7-20(27)21(28)12-19)8-10-25(16,11-9-24)23(35)32-14-17-2-4-18(5-3-17)26(29,30)31;1-16-10-18(3)29-13-19(16)14-30-24(33)26-8-6-25(7-9-26,12-17(26)2)31-23(32)15-34-20-4-5-21(27)22(28)11-20;1-15(2)16-9-18(33-13-16)12-28-23(32)25-7-5-24(6-8-25,11-21(25)30)29-22(31)14-34-17-3-4-19(26)20(27)10-17;1-15-10-23(30-21(31)14-33-18-2-3-19(25)20(27)9-18)4-6-24(15,7-5-23)22(32)29-12-16-8-17(26)13-28-11-16;1-14-3-4-15(2)16(7-14)9-26-21(29)22-11-23(12-22,13-22)27-20(28)10-30-17-5-6-18(24)19(25)8-17;1-14-4-3-5-16(8-14)15(2)26-21(29)22-11-23(12-22,13-22)27-20(28)10-30-17-6-7-18(24)19(25)9-17;22-17-5-4-16(6-18(17)23)28-9-15(26)7-20-10-21(11-20,12-20)19(27)3-1-2-14-8-24-13-25-14;1-25-12(4-5-23-25)7-22-17(27)18-9-19(10-18,11-18)24-16(26)8-28-13-2-3-14(20)15(21)6-13/h2-7,12,16H,8-11,13-15H2,1H3,(H,32,35)(H,33,34);4-5,10-11,13,17H,6-9,12,14-15H2,1-3H3,(H,30,33)(H,31,32);3-4,9-10,13,15,21,30H,5-8,11-12,14H2,1-2H3,(H,28,32)(H,29,31);2-3,8-9,11,13,15H,4-7,10,12,14H2,1H3,(H,29,32)(H,30,31);3-8H,9-13H2,1-2H3,(H,26,29)(H,27,28);3-9,15H,10-13H2,1-2H3,(H,26,29)(H,27,28);4-6,8,13H,1-3,7,9-12H2,(H,24,25);2-6H,7-11H2,1H3,(H,22,27)(H,24,26)/t;;;;;15-,22?,23?;;/m.....1../s1
InChIKeyJLQNXHOIDLBHHS-LSLJVRPNSA-N
XLogP32.69
TPSA621.03 Ų
H-Bond Donors16
H-Bond Acceptors31
Rotatable Bonds60
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003659.40
LogP ≤ 532.69
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1031

Analyze 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one (CID 162282230) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one is CC(C)c1coc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)c1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cncc(F)c1)CC2.Cc1cc(C)c(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)cn1.Cc1ccc(C)c(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cccc([C@@H](C)NC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cn1nccc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCCc3cnc[nH]3)(C1)C2.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one?
The InChIKey is JLQNXHOIDLBHHS-LSLJVRPNSA-N. The full InChI is InChI=1S/C26H27ClF4N2O3.C26H31ClFN3O3.C25H30ClFN2O5.C24H26ClF2N3O3.2C23H24ClFN2O3.C21H22ClFN2O3.C19H20ClFN4O3/c1-16-13-24(33-22(34)15-36-19-6-7-20(27)21(28)12-19)8-10-25(16,11-9-24)23(35)32-14-17-2-4-18(5-3-17)26(29,30)31;1-16-10-18(3)29-13-19(16)14-30-24(33)26-8-6-25(7-9-26,12-17(26)2)31-23(32)15-34-20-4-5-21(27)22(28)11-20;1-15(2)16-9-18(33-13-16)12-28-23(32)25-7-5-24(6-8-25,11-21(25)30)29-22(31)14-34-17-3-4-19(26)20(27)10-17;1-15-10-23(30-21(31)14-33-18-2-3-19(25)20(27)9-18)4-6-24(15,7-5-23)22(32)29-12-16-8-17(26)13-28-11-16;1-14-3-4-15(2)16(7-14)9-26-21(29)22-11-23(12-22,13-22)27-20(28)10-30-17-5-6-18(24)19(25)8-17;1-14-4-3-5-16(8-14)15(2)26-21(29)22-11-23(12-22,13-22)27-20(28)10-30-17-6-7-18(24)19(25)9-17;22-17-5-4-16(6-18(17)23)28-9-15(26)7-20-10-21(11-20,12-20)19(27)3-1-2-14-8-24-13-25-14;1-25-12(4-5-23-25)7-22-17(27)18-9-19(10-18,11-18)24-16(26)8-28-13-2-3-14(20)15(21)6-13/h2-7,12,16H,8-11,13-15H2,1H3,(H,32,35)(H,33,34);4-5,10-11,13,17H,6-9,12,14-15H2,1-3H3,(H,30,33)(H,31,32);3-4,9-10,13,15,21,30H,5-8,11-12,14H2,1-2H3,(H,28,32)(H,29,31);2-3,8-9,11,13,15H,4-7,10,12,14H2,1H3,(H,29,32)(H,30,31);3-8H,9-13H2,1-2H3,(H,26,29)(H,27,28);3-9,15H,10-13H2,1-2H3,(H,26,29)(H,27,28);4-6,8,13H,1-3,7,9-12H2,(H,24,25);2-6H,7-11H2,1H3,(H,22,27)(H,24,26)/t;;;;;15-,22?,23?;;/m.....1../s1.
What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one?
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one has a molecular weight of 3659.40 g/mol, XLogP of 32.69, 60 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1R)-1-(3-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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1H-imidazol-5-yl)butan-1-one is sourced from PubChem (CID 162282230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).