N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide

C92H96Cl4F2N12O12S — CID 161195452

IUPACN-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide
SMILESC[C@H]1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccccn1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ccccc5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4nc(C5CC5)cs4)(C2)C3)ccc1Cl.Cc1ccc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C[C@@H]3C)nc1
InChIInChI=1S/C24H27ClFN3O3.C24H22ClN3O3.C23H25ClFN3O3.C21H22ClN3O3S/c1-15-3-6-20(27-13-15)22(31)29-24-9-7-23(8-10-24,12-16(24)2)28-21(30)14-32-17-4-5-18(25)19(26)11-17;1-15-8-18(6-7-19(15)25)31-11-21(29)27-23-12-24(13-23,14-23)28-22(30)17-9-16-4-2-3-5-20(16)26-10-17;1-15-13-22(27-20(29)14-31-16-5-6-17(24)18(25)12-16)7-9-23(15,10-8-22)28-21(30)19-4-2-3-11-26-19;1-12-6-14(4-5-15(12)22)28-7-17(26)24-20-9-21(10-20,11-20)25-18(27)19-23-16(8-29-19)13-2-3-13/h3-6,11,13,16H,7-10,12,14H2,1-2H3,(H,28,30)(H,29,31);2-10H,11-14H2,1H3,(H,27,29)(H,28,30);2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,29)(H,28,30);4-6,8,13H,2-3,7,9-11H2,1H3,(H,24,26)(H,25,27)/t16-,23?,24?;;15-,22?,23?;/m0.0./s1
InChIKeyUUGYDMOXAHZGER-JJCHVERLSA-N
MW1773.73 g/mol
LogP15.47
Rot. Bonds25

About N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide

N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide (PubChem CID 161195452) has the molecular formula C92H96Cl4F2N12O12S and a molecular weight of 1773.73 g/mol. Its IUPAC name is N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide
PubChem CID161195452
Molecular FormulaC92H96Cl4F2N12O12S
Molecular Weight1773.73 g/mol
Exact Mass1770.57
IUPAC NameN-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide
SMILESC[C@H]1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccccn1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ccccc5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4nc(C5CC5)cs4)(C2)C3)ccc1Cl.Cc1ccc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C[C@@H]3C)nc1
InChIInChI=1S/C24H27ClFN3O3.C24H22ClN3O3.C23H25ClFN3O3.C21H22ClN3O3S/c1-15-3-6-20(27-13-15)22(31)29-24-9-7-23(8-10-24,12-16(24)2)28-21(30)14-32-17-4-5-18(25)19(26)11-17;1-15-8-18(6-7-19(15)25)31-11-21(29)27-23-12-24(13-23,14-23)28-22(30)17-9-16-4-2-3-5-20(16)26-10-17;1-15-13-22(27-20(29)14-31-16-5-6-17(24)18(25)12-16)7-9-23(15,10-8-22)28-21(30)19-4-2-3-11-26-19;1-12-6-14(4-5-15(12)22)28-7-17(26)24-20-9-21(10-20,11-20)25-18(27)19-23-16(8-29-19)13-2-3-13/h3-6,11,13,16H,7-10,12,14H2,1-2H3,(H,28,30)(H,29,31);2-10H,11-14H2,1H3,(H,27,29)(H,28,30);2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,29)(H,28,30);4-6,8,13H,2-3,7,9-11H2,1H3,(H,24,26)(H,25,27)/t16-,23?,24?;;15-,22?,23?;/m0.0./s1
InChIKeyUUGYDMOXAHZGER-JJCHVERLSA-N
XLogP15.47
TPSA321.28 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001773.73
LogP ≤ 515.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide (CID 161195452) is N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide is C[C@H]1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccccn1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ccccc5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4nc(C5CC5)cs4)(C2)C3)ccc1Cl.Cc1ccc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C[C@@H]3C)nc1.
What is the InChIKey of N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide?
The InChIKey is UUGYDMOXAHZGER-JJCHVERLSA-N. The full InChI is InChI=1S/C24H27ClFN3O3.C24H22ClN3O3.C23H25ClFN3O3.C21H22ClN3O3S/c1-15-3-6-20(27-13-15)22(31)29-24-9-7-23(8-10-24,12-16(24)2)28-21(30)14-32-17-4-5-18(25)19(26)11-17;1-15-8-18(6-7-19(15)25)31-11-21(29)27-23-12-24(13-23,14-23)28-22(30)17-9-16-4-2-3-5-20(16)26-10-17;1-15-13-22(27-20(29)14-31-16-5-6-17(24)18(25)12-16)7-9-23(15,10-8-22)28-21(30)19-4-2-3-11-26-19;1-12-6-14(4-5-15(12)22)28-7-17(26)24-20-9-21(10-20,11-20)25-18(27)19-23-16(8-29-19)13-2-3-13/h3-6,11,13,16H,7-10,12,14H2,1-2H3,(H,28,30)(H,29,31);2-10H,11-14H2,1H3,(H,27,29)(H,28,30);2-6,11-12,15H,7-10,13-14H2,1H3,(H,27,29)(H,28,30);4-6,8,13H,2-3,7,9-11H2,1H3,(H,24,26)(H,25,27)/t16-,23?,24?;;15-,22?,23?;/m0.0./s1.
What are the key properties of N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide?
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide has a molecular weight of 1773.73 g/mol, XLogP of 15.47, 25 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopropyl-1,3-thiazole-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoline-3-carboxamide is sourced from PubChem (CID 161195452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).