4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one

C195H205Cl8F21N18O27 — CID 160836128

IUPAC4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
SMILESCC(C)Cc1cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)on1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(N(C)C)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(OC(F)(F)F)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cccc(C(F)(F)F)c1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cccc(OC(F)(F)F)c1)CC2.Cc1cc(CCNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc(C)n1.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCCc3ccc(C(F)(F)F)cn3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3F)(C1)C2
InChIInChI=1S/C27H33ClFN3O3.2C26H27ClF4N2O4.C26H27ClF4N2O3.C24H22ClF4NO3.C23H25ClFN3O3.C22H25ClFN3O4.C21H19ClF2N2O3/c1-18-15-26(31-24(33)17-35-21-8-9-22(28)23(29)14-21)10-12-27(18,13-11-26)25(34)30-16-19-4-6-20(7-5-19)32(2)3;1-16-13-24(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)37-26(29,30)31;1-16-13-24(33-22(34)15-36-18-5-6-20(27)21(28)12-18)7-9-25(16,10-8-24)23(35)32-14-17-3-2-4-19(11-17)37-26(29,30)31;1-16-13-24(33-22(34)15-36-19-5-6-20(27)21(28)12-19)7-9-25(16,10-8-24)23(35)32-14-17-3-2-4-18(11-17)26(29,30)31;25-19-7-6-18(8-20(19)26)33-11-17(31)9-22-12-23(13-22,14-22)21(32)3-1-2-16-5-4-15(10-30-16)24(27,28)29;1-14-7-16(8-15(2)27-14)5-6-26-21(30)22-11-23(12-22,13-22)28-20(29)10-31-17-3-4-18(24)19(25)9-17;1-13(2)5-14-6-16(31-27-14)8-25-20(29)21-10-22(11-21,12-21)26-19(28)9-30-15-3-4-17(23)18(24)7-15;22-15-6-5-14(7-17(15)24)29-9-18(27)26-21-10-20(11-21,12-21)19(28)25-8-13-3-1-2-4-16(13)23/h4-9,14,18H,10-13,15-17H2,1-3H3,(H,30,34)(H,31,33);2-7,12,16H,8-11,13-15H2,1H3,(H,32,35)(H,33,34);2-6,11-12,16H,7-10,13-15H2,1H3,(H,32,35)(H,33,34);2-6,11-12,16H,7-10,13-15H2,1H3,(H,32,35)(H,33,34);4-8,10H,1-3,9,11-14H2;3-4,7-9H,5-6,10-13H2,1-2H3,(H,26,30)(H,28,29);3-4,6-7,13H,5,8-12H2,1-2H3,(H,25,29)(H,26,28);1-7H,8-12H2,(H,25,28)(H,26,27)
InChIKeySHKWCOLBISGXBN-UHFFFAOYSA-N
MW3915.47 g/mol
LogP37.41
Rot. Bonds65

About 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one (PubChem CID 160836128) has the molecular formula C195H205Cl8F21N18O27 and a molecular weight of 3915.47 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
PubChem CID160836128
Molecular FormulaC195H205Cl8F21N18O27
Molecular Weight3915.47 g/mol
Exact Mass3909.24
IUPAC Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
SMILESCC(C)Cc1cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)on1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(N(C)C)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(OC(F)(F)F)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cccc(C(F)(F)F)c1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cccc(OC(F)(F)F)c1)CC2.Cc1cc(CCNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc(C)n1.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCCc3ccc(C(F)(F)F)cn3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3F)(C1)C2
InChIInChI=1S/C27H33ClFN3O3.2C26H27ClF4N2O4.C26H27ClF4N2O3.C24H22ClF4NO3.C23H25ClFN3O3.C22H25ClFN3O4.C21H19ClF2N2O3/c1-18-15-26(31-24(33)17-35-21-8-9-22(28)23(29)14-21)10-12-27(18,13-11-26)25(34)30-16-19-4-6-20(7-5-19)32(2)3;1-16-13-24(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)37-26(29,30)31;1-16-13-24(33-22(34)15-36-18-5-6-20(27)21(28)12-18)7-9-25(16,10-8-24)23(35)32-14-17-3-2-4-19(11-17)37-26(29,30)31;1-16-13-24(33-22(34)15-36-19-5-6-20(27)21(28)12-19)7-9-25(16,10-8-24)23(35)32-14-17-3-2-4-18(11-17)26(29,30)31;25-19-7-6-18(8-20(19)26)33-11-17(31)9-22-12-23(13-22,14-22)21(32)3-1-2-16-5-4-15(10-30-16)24(27,28)29;1-14-7-16(8-15(2)27-14)5-6-26-21(30)22-11-23(12-22,13-22)28-20(29)10-31-17-3-4-18(24)19(25)9-17;1-13(2)5-14-6-16(31-27-14)8-25-20(29)21-10-22(11-21,12-21)26-19(28)9-30-15-3-4-17(23)18(24)7-15;22-15-6-5-14(7-17(15)24)29-9-18(27)26-21-10-20(11-21,12-21)19(28)25-8-13-3-1-2-4-16(13)23/h4-9,14,18H,10-13,15-17H2,1-3H3,(H,30,34)(H,31,33);2-7,12,16H,8-11,13-15H2,1H3,(H,32,35)(H,33,34);2-6,11-12,16H,7-10,13-15H2,1H3,(H,32,35)(H,33,34);2-6,11-12,16H,7-10,13-15H2,1H3,(H,32,35)(H,33,34);4-8,10H,1-3,9,11-14H2;3-4,7-9H,5-6,10-13H2,1-2H3,(H,26,30)(H,28,29);3-4,6-7,13H,5,8-12H2,1-2H3,(H,25,29)(H,26,28);1-7H,8-12H2,(H,25,28)(H,26,27)
InChIKeySHKWCOLBISGXBN-UHFFFAOYSA-N
XLogP37.41
TPSA588.89 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds65
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003915.47
LogP ≤ 537.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one with MolForge

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Related Compounds

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[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;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide
CID 158047659
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1-fluoroethyl)-N-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(3-propan-2-yl-1,2-oxazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 160115034
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 157445833
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-4-carboxamide
CID 161170508

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one?
The IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one (CID 160836128) is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one.
What is the SMILES notation for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one?
The canonical SMILES for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one is CC(C)Cc1cc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)on1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(N(C)C)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(OC(F)(F)F)cc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cccc(C(F)(F)F)c1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cccc(OC(F)(F)F)c1)CC2.Cc1cc(CCNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc(C)n1.O=C(COc1ccc(Cl)c(F)c1)CC12CC(C(=O)CCCc3ccc(C(F)(F)F)cn3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3F)(C1)C2.
What is the InChIKey of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one?
The InChIKey is SHKWCOLBISGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClFN3O3.2C26H27ClF4N2O4.C26H27ClF4N2O3.C24H22ClF4NO3.C23H25ClFN3O3.C22H25ClFN3O4.C21H19ClF2N2O3/c1-18-15-26(31-24(33)17-35-21-8-9-22(28)23(29)14-21)10-12-27(18,13-11-26)25(34)30-16-19-4-6-20(7-5-19)32(2)3;1-16-13-24(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)37-26(29,30)31;1-16-13-24(33-22(34)15-36-18-5-6-20(27)21(28)12-18)7-9-25(16,10-8-24)23(35)32-14-17-3-2-4-19(11-17)37-26(29,30)31;1-16-13-24(33-22(34)15-36-19-5-6-20(27)21(28)12-19)7-9-25(16,10-8-24)23(35)32-14-17-3-2-4-18(11-17)26(29,30)31;25-19-7-6-18(8-20(19)26)33-11-17(31)9-22-12-23(13-22,14-22)21(32)3-1-2-16-5-4-15(10-30-16)24(27,28)29;1-14-7-16(8-15(2)27-14)5-6-26-21(30)22-11-23(12-22,13-22)28-20(29)10-31-17-3-4-18(24)19(25)9-17;1-13(2)5-14-6-16(31-27-14)8-25-20(29)21-10-22(11-21,12-21)26-19(28)9-30-15-3-4-17(23)18(24)7-15;22-15-6-5-14(7-17(15)24)29-9-18(27)26-21-10-20(11-21,12-21)19(28)25-8-13-3-1-2-4-16(13)23/h4-9,14,18H,10-13,15-17H2,1-3H3,(H,30,34)(H,31,33);2-7,12,16H,8-11,13-15H2,1H3,(H,32,35)(H,33,34);2-6,11-12,16H,7-10,13-15H2,1H3,(H,32,35)(H,33,34);2-6,11-12,16H,7-10,13-15H2,1H3,(H,32,35)(H,33,34);4-8,10H,1-3,9,11-14H2;3-4,7-9H,5-6,10-13H2,1-2H3,(H,26,30)(H,28,29);3-4,6-7,13H,5,8-12H2,1-2H3,(H,25,29)(H,26,28);1-7H,8-12H2,(H,25,28)(H,26,27).
What are the key properties of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one?
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one has a molecular weight of 3915.47 g/mol, XLogP of 37.41, 65 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(dimethylamino)phenyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[3-(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-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one is sourced from PubChem (CID 160836128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).