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

C90H100Cl4F4N12O14 — CID 161170508

IUPACN-[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
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cccnc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccncc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccno1)CC2.Cc1noc(C)c1C(=O)NC12CCC(NC(=O)COc3ccc(Cl)c(F)c3)(CC1)CC2C
InChIInChI=1S/C23H27ClFN3O4.2C23H25ClFN3O3.C21H23ClFN3O4/c1-13-11-22(26-19(29)12-31-16-4-5-17(24)18(25)10-16)6-8-23(13,9-7-22)27-21(30)20-14(2)28-32-15(20)3;1-15-13-22(27-20(29)14-31-17-2-3-18(24)19(25)12-17)6-8-23(15,9-7-22)28-21(30)16-4-10-26-11-5-16;1-15-12-22(27-20(29)14-31-17-4-5-18(24)19(25)11-17)6-8-23(15,9-7-22)28-21(30)16-3-2-10-26-13-16;1-13-11-20(25-18(27)12-29-14-2-3-15(22)16(23)10-14)5-7-21(13,8-6-20)26-19(28)17-4-9-24-30-17/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,26,29)(H,27,30);2-5,10-12,15H,6-9,13-14H2,1H3,(H,27,29)(H,28,30);2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,27,29)(H,28,30);2-4,9-10,13H,5-8,11-12H2,1H3,(H,25,27)(H,26,28)
InChIKeyURCPPRILAJMUDN-UHFFFAOYSA-N
MW1791.66 g/mol
LogP15.36
Rot. Bonds24

About 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

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 (PubChem CID 161170508) has the molecular formula C90H100Cl4F4N12O14 and a molecular weight of 1791.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161170508
Molecular FormulaC90H100Cl4F4N12O14
Molecular Weight1791.66 g/mol
Exact Mass1788.62
IUPAC NameN-[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
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cccnc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccncc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccno1)CC2.Cc1noc(C)c1C(=O)NC12CCC(NC(=O)COc3ccc(Cl)c(F)c3)(CC1)CC2C
InChIInChI=1S/C23H27ClFN3O4.2C23H25ClFN3O3.C21H23ClFN3O4/c1-13-11-22(26-19(29)12-31-16-4-5-17(24)18(25)10-16)6-8-23(13,9-7-22)27-21(30)20-14(2)28-32-15(20)3;1-15-13-22(27-20(29)14-31-17-2-3-18(24)19(25)12-17)6-8-23(15,9-7-22)28-21(30)16-4-10-26-11-5-16;1-15-12-22(27-20(29)14-31-17-4-5-18(24)19(25)11-17)6-8-23(15,9-7-22)28-21(30)16-3-2-10-26-13-16;1-13-11-20(25-18(27)12-29-14-2-3-15(22)16(23)10-14)5-7-21(13,8-6-20)26-19(28)17-4-9-24-30-17/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,26,29)(H,27,30);2-5,10-12,15H,6-9,13-14H2,1H3,(H,27,29)(H,28,30);2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,27,29)(H,28,30);2-4,9-10,13H,5-8,11-12H2,1H3,(H,25,27)(H,26,28)
InChIKeyURCPPRILAJMUDN-UHFFFAOYSA-N
XLogP15.36
TPSA347.56 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001791.66
LogP ≤ 515.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 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 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]-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cccnc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccncc1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccno1)CC2.Cc1noc(C)c1C(=O)NC12CCC(NC(=O)COc3ccc(Cl)c(F)c3)(CC1)CC2C.
What is the InChIKey of 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?
The InChIKey is URCPPRILAJMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O4.2C23H25ClFN3O3.C21H23ClFN3O4/c1-13-11-22(26-19(29)12-31-16-4-5-17(24)18(25)10-16)6-8-23(13,9-7-22)27-21(30)20-14(2)28-32-15(20)3;1-15-13-22(27-20(29)14-31-17-2-3-18(24)19(25)12-17)6-8-23(15,9-7-22)28-21(30)16-4-10-26-11-5-16;1-15-12-22(27-20(29)14-31-17-4-5-18(24)19(25)11-17)6-8-23(15,9-7-22)28-21(30)16-3-2-10-26-13-16;1-13-11-20(25-18(27)12-29-14-2-3-15(22)16(23)10-14)5-7-21(13,8-6-20)26-19(28)17-4-9-24-30-17/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,26,29)(H,27,30);2-5,10-12,15H,6-9,13-14H2,1H3,(H,27,29)(H,28,30);2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,27,29)(H,28,30);2-4,9-10,13H,5-8,11-12H2,1H3,(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]-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?
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 has a molecular weight of 1791.66 g/mol, XLogP of 15.36, 24 rotatable bonds, 8 hydrogen bond donors, and 18 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]-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 is sourced from PubChem (CID 161170508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).