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

C88H96Cl4F4N12O14S2 — CID 162287955

IUPACN-[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
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccc3c(c1)OCO3)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cn[nH]c1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cncs1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cscn1)CC2
InChIInChI=1S/C25H26ClFN2O5.C21H24ClFN4O3.2C21H23ClFN3O3S/c1-15-12-24(28-22(30)13-32-17-3-4-18(26)19(27)11-17)6-8-25(15,9-7-24)29-23(31)16-2-5-20-21(10-16)34-14-33-20;1-13-9-20(26-18(28)12-30-15-2-3-16(22)17(23)8-15)4-6-21(13,7-5-20)27-19(29)14-10-24-25-11-14;1-13-9-20(25-18(27)10-29-14-2-3-15(22)16(23)8-14)4-6-21(13,7-5-20)26-19(28)17-11-30-12-24-17;1-13-9-20(25-18(27)11-29-14-2-3-15(22)16(23)8-14)4-6-21(13,7-5-20)26-19(28)17-10-24-12-30-17/h2-5,10-11,15H,6-9,12-14H2,1H3,(H,28,30)(H,29,31);2-3,8,10-11,13H,4-7,9,12H2,1H3,(H,24,25)(H,26,28)(H,27,29);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)
InChIKeyYKYCSHWFHKBNLQ-UHFFFAOYSA-N
MW1827.74 g/mol
LogP15.35
Rot. Bonds24

About 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

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 (PubChem CID 162287955) has the molecular formula C88H96Cl4F4N12O14S2 and a molecular weight of 1827.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID162287955
Molecular FormulaC88H96Cl4F4N12O14S2
Molecular Weight1827.74 g/mol
Exact Mass1824.53
IUPAC NameN-[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
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccc3c(c1)OCO3)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cn[nH]c1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cncs1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cscn1)CC2
InChIInChI=1S/C25H26ClFN2O5.C21H24ClFN4O3.2C21H23ClFN3O3S/c1-15-12-24(28-22(30)13-32-17-3-4-18(26)19(27)11-17)6-8-25(15,9-7-24)29-23(31)16-2-5-20-21(10-16)34-14-33-20;1-13-9-20(26-18(28)12-30-15-2-3-16(22)17(23)8-15)4-6-21(13,7-5-20)27-19(29)14-10-24-25-11-14;1-13-9-20(25-18(27)10-29-14-2-3-15(22)16(23)8-14)4-6-21(13,7-5-20)26-19(28)17-11-30-12-24-17;1-13-9-20(25-18(27)11-29-14-2-3-15(22)16(23)8-14)4-6-21(13,7-5-20)26-19(28)17-10-24-12-30-17/h2-5,10-11,15H,6-9,12-14H2,1H3,(H,28,30)(H,29,31);2-3,8,10-11,13H,4-7,9,12H2,1H3,(H,24,25)(H,26,28)(H,27,29);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)
InChIKeyYKYCSHWFHKBNLQ-UHFFFAOYSA-N
XLogP15.35
TPSA342.64 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001827.74
LogP ≤ 515.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccc3c(c1)OCO3)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cn[nH]c1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cncs1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cscn1)CC2.
What is the InChIKey of 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?
The InChIKey is YKYCSHWFHKBNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O5.C21H24ClFN4O3.2C21H23ClFN3O3S/c1-15-12-24(28-22(30)13-32-17-3-4-18(26)19(27)11-17)6-8-25(15,9-7-24)29-23(31)16-2-5-20-21(10-16)34-14-33-20;1-13-9-20(26-18(28)12-30-15-2-3-16(22)17(23)8-15)4-6-21(13,7-5-20)27-19(29)14-10-24-25-11-14;1-13-9-20(25-18(27)10-29-14-2-3-15(22)16(23)8-14)4-6-21(13,7-5-20)26-19(28)17-11-30-12-24-17;1-13-9-20(25-18(27)11-29-14-2-3-15(22)16(23)8-14)4-6-21(13,7-5-20)26-19(28)17-10-24-12-30-17/h2-5,10-11,15H,6-9,12-14H2,1H3,(H,28,30)(H,29,31);2-3,8,10-11,13H,4-7,9,12H2,1H3,(H,24,25)(H,26,28)(H,27,29);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]-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?
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 has a molecular weight of 1827.74 g/mol, XLogP of 15.35, 24 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162287955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).