3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one

C160H165Cl8F11N16O22 — CID 161216008

IUPAC3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cc(C(F)(F)F)ccn1)CC2.COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(C(F)(F)F)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(Cl)cc4)(C2)C3)ccc1Cl.Cc1ccccc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cnc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)cn1.Cn1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1
InChIInChI=1S/C25H26ClF4N3O3.C24H24Cl2O3.C24H23ClF3NO3.C24H28ClFN4O3.C22H22ClFN2O4.C22H22ClFN2O3.C19H20ClFN4O3/c1-15-12-23(33-21(34)14-36-18-2-3-19(26)20(27)11-18)5-7-24(15,8-6-23)22(35)32-13-17-10-16(4-9-31-17)25(28,29)30;1-16-10-20(7-8-21(16)26)29-12-19(27)11-23-13-24(14-23,15-23)22(28)9-4-17-2-5-18(25)6-3-17;1-15-8-19(5-6-20(15)25)32-11-18(30)9-22-12-23(13-22,14-22)21(31)7-4-17-3-2-16(10-29-17)24(26,27)28;1-15-10-23(30-21(31)14-33-18-3-4-19(25)20(26)9-18)5-7-24(15,8-6-23)22(32)29-13-17-12-27-16(2)11-28-17;1-29-15-4-2-14(3-5-15)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-30-16-6-7-17(23)18(24)8-16;1-14-4-2-3-5-15(14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-6-7-17(23)18(24)8-16;1-25-6-12(23-11-25)5-22-17(27)18-8-19(9-18,10-18)24-16(26)7-28-13-2-3-14(20)15(21)4-13/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,32,35)(H,33,34);2-3,5-8,10H,4,9,11-15H2,1H3;2-3,5-6,8,10H,4,7,9,11-14H2,1H3;3-4,9,11-12,15H,5-8,10,13-14H2,1-2H3,(H,29,32)(H,30,31);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-4,6,11H,5,7-10H2,1H3,(H,22,27)(H,24,26)
InChIKeyUWWJCGJVUOYLGI-UHFFFAOYSA-N
MW3156.77 g/mol
LogP29.25
Rot. Bonds54

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one (PubChem CID 161216008) has the molecular formula C160H165Cl8F11N16O22 and a molecular weight of 3156.77 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
PubChem CID161216008
Molecular FormulaC160H165Cl8F11N16O22
Molecular Weight3156.77 g/mol
Exact Mass3150.96
IUPAC Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cc(C(F)(F)F)ccn1)CC2.COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(C(F)(F)F)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(Cl)cc4)(C2)C3)ccc1Cl.Cc1ccccc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cnc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)cn1.Cn1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1
InChIInChI=1S/C25H26ClF4N3O3.C24H24Cl2O3.C24H23ClF3NO3.C24H28ClFN4O3.C22H22ClFN2O4.C22H22ClFN2O3.C19H20ClFN4O3/c1-15-12-23(33-21(34)14-36-18-2-3-19(26)20(27)11-18)5-7-24(15,8-6-23)22(35)32-13-17-10-16(4-9-31-17)25(28,29)30;1-16-10-20(7-8-21(16)26)29-12-19(27)11-23-13-24(14-23,15-23)22(28)9-4-17-2-5-18(25)6-3-17;1-15-8-19(5-6-20(15)25)32-11-18(30)9-22-12-23(13-22,14-22)21(31)7-4-17-3-2-16(10-29-17)24(26,27)28;1-15-10-23(30-21(31)14-33-18-3-4-19(25)20(26)9-18)5-7-24(15,8-6-23)22(32)29-13-17-12-27-16(2)11-28-17;1-29-15-4-2-14(3-5-15)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-30-16-6-7-17(23)18(24)8-16;1-14-4-2-3-5-15(14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-6-7-17(23)18(24)8-16;1-25-6-12(23-11-25)5-22-17(27)18-8-19(9-18,10-18)24-16(26)7-28-13-2-3-14(20)15(21)4-13/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,32,35)(H,33,34);2-3,5-8,10H,4,9,11-15H2,1H3;2-3,5-6,8,10H,4,7,9,11-14H2,1H3;3-4,9,11-12,15H,5-8,10,13-14H2,1-2H3,(H,29,32)(H,30,31);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-4,6,11H,5,7-10H2,1H3,(H,22,27)(H,24,26)
InChIKeyUWWJCGJVUOYLGI-UHFFFAOYSA-N
XLogP29.25
TPSA502.50 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds54
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003156.77
LogP ≤ 529.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 159637383
1-(4-chloro-3-methylphenoxy)-3-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyano-3-fluorobenzamide;5-(difluoromethyl)-N-[2-fluoro-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[2-fluoro-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159936823
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-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 161604650
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-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-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 162215702
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 162294832

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one (CID 161216008) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one is CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cc(C(F)(F)F)ccn1)CC2.COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(C(F)(F)F)cn4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(Cl)cc4)(C2)C3)ccc1Cl.Cc1ccccc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cnc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3C)cn1.Cn1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one?
The InChIKey is UWWJCGJVUOYLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF4N3O3.C24H24Cl2O3.C24H23ClF3NO3.C24H28ClFN4O3.C22H22ClFN2O4.C22H22ClFN2O3.C19H20ClFN4O3/c1-15-12-23(33-21(34)14-36-18-2-3-19(26)20(27)11-18)5-7-24(15,8-6-23)22(35)32-13-17-10-16(4-9-31-17)25(28,29)30;1-16-10-20(7-8-21(16)26)29-12-19(27)11-23-13-24(14-23,15-23)22(28)9-4-17-2-5-18(25)6-3-17;1-15-8-19(5-6-20(15)25)32-11-18(30)9-22-12-23(13-22,14-22)21(31)7-4-17-3-2-16(10-29-17)24(26,27)28;1-15-10-23(30-21(31)14-33-18-3-4-19(25)20(26)9-18)5-7-24(15,8-6-23)22(32)29-13-17-12-27-16(2)11-28-17;1-29-15-4-2-14(3-5-15)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-30-16-6-7-17(23)18(24)8-16;1-14-4-2-3-5-15(14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-6-7-17(23)18(24)8-16;1-25-6-12(23-11-25)5-22-17(27)18-8-19(9-18,10-18)24-16(26)7-28-13-2-3-14(20)15(21)4-13/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,32,35)(H,33,34);2-3,5-8,10H,4,9,11-15H2,1H3;2-3,5-6,8,10H,4,7,9,11-14H2,1H3;3-4,9,11-12,15H,5-8,10,13-14H2,1-2H3,(H,29,32)(H,30,31);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-4,6,11H,5,7-10H2,1H3,(H,22,27)(H,24,26).
What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one?
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one has a molecular weight of 3156.77 g/mol, XLogP of 29.25, 54 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-chlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 161216008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).