N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C89H97Cl3F4N12O13S3 — CID 161099356

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1CC2(NC(=O)c3ccsc3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cncs3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cscn3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1ccc(OCC(=O)NC23CCC(NC(=O)c4cc5ccccn5n4)(CC2)CC3O)cc1F
InChIInChI=1S/C25H27FN4O4.C22H24ClFN2O3S.2C21H23ClFN3O3S/c1-16-5-6-18(13-19(16)26)34-15-22(32)27-25-9-7-24(8-10-25,14-21(25)31)28-23(33)20-12-17-4-2-3-11-30(17)29-20;1-14-11-21(26-20(28)15-4-9-30-13-15)5-7-22(14,8-6-21)25-19(27)12-29-16-2-3-17(23)18(24)10-16;1-13-9-20(26-19(28)17-11-30-12-24-17)4-6-21(13,7-5-20)25-18(27)10-29-14-2-3-15(22)16(23)8-14;1-13-9-20(26-19(28)17-10-24-12-30-17)4-6-21(13,7-5-20)25-18(27)11-29-14-2-3-15(22)16(23)8-14/h2-6,11-13,21,31H,7-10,14-15H2,1H3,(H,27,32)(H,28,33);2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,25,27)(H,26,28);2-3,8,11-13H,4-7,9-10H2,1H3,(H,25,27)(H,26,28);2-3,8,10,12-13H,4-7,9,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyUIFKWCRKHRGBAW-UHFFFAOYSA-N
MW1821.38 g/mol
LogP14.98
Rot. Bonds24

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 161099356) has the molecular formula C89H97Cl3F4N12O13S3 and a molecular weight of 1821.38 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID161099356
Molecular FormulaC89H97Cl3F4N12O13S3
Molecular Weight1821.38 g/mol
Exact Mass1818.55
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1CC2(NC(=O)c3ccsc3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cncs3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cscn3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1ccc(OCC(=O)NC23CCC(NC(=O)c4cc5ccccn5n4)(CC2)CC3O)cc1F
InChIInChI=1S/C25H27FN4O4.C22H24ClFN2O3S.2C21H23ClFN3O3S/c1-16-5-6-18(13-19(16)26)34-15-22(32)27-25-9-7-24(8-10-25,14-21(25)31)28-23(33)20-12-17-4-2-3-11-30(17)29-20;1-14-11-21(26-20(28)15-4-9-30-13-15)5-7-22(14,8-6-21)25-19(27)12-29-16-2-3-17(23)18(24)10-16;1-13-9-20(26-19(28)17-11-30-12-24-17)4-6-21(13,7-5-20)25-18(27)10-29-14-2-3-15(22)16(23)8-14;1-13-9-20(26-19(28)17-10-24-12-30-17)4-6-21(13,7-5-20)25-18(27)11-29-14-2-3-15(22)16(23)8-14/h2-6,11-13,21,31H,7-10,14-15H2,1H3,(H,27,32)(H,28,33);2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,25,27)(H,26,28);2-3,8,11-13H,4-7,9-10H2,1H3,(H,25,27)(H,26,28);2-3,8,10,12-13H,4-7,9,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyUIFKWCRKHRGBAW-UHFFFAOYSA-N
XLogP14.98
TPSA333.03 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001821.38
LogP ≤ 514.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide
CID 159875459
2-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 160961400
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-1,3-benzodioxole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-1H-pyrazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide
CID 162287955

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 161099356) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide is CC1CC2(NC(=O)c3ccsc3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cncs3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cscn3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1ccc(OCC(=O)NC23CCC(NC(=O)c4cc5ccccn5n4)(CC2)CC3O)cc1F.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is UIFKWCRKHRGBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4.C22H24ClFN2O3S.2C21H23ClFN3O3S/c1-16-5-6-18(13-19(16)26)34-15-22(32)27-25-9-7-24(8-10-25,14-21(25)31)28-23(33)20-12-17-4-2-3-11-30(17)29-20;1-14-11-21(26-20(28)15-4-9-30-13-15)5-7-22(14,8-6-21)25-19(27)12-29-16-2-3-17(23)18(24)10-16;1-13-9-20(26-19(28)17-11-30-12-24-17)4-6-21(13,7-5-20)25-18(27)10-29-14-2-3-15(22)16(23)8-14;1-13-9-20(26-19(28)17-10-24-12-30-17)4-6-21(13,7-5-20)25-18(27)11-29-14-2-3-15(22)16(23)8-14/h2-6,11-13,21,31H,7-10,14-15H2,1H3,(H,27,32)(H,28,33);2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,25,27)(H,26,28);2-3,8,11-13H,4-7,9-10H2,1H3,(H,25,27)(H,26,28);2-3,8,10,12-13H,4-7,9,11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 1821.38 g/mol, XLogP of 14.98, 24 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,3-thiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]thiophene-3-carboxamide;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 161099356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).