N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide

C116H121Cl5F5N17O15S — CID 158597112

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide
SMILESCCc1ccnc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)c1.CCc1csc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ccccc5n4)(C2)C3)ccc1Cl.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)ccc1C#N.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)ccc1F
InChIInChI=1S/C25H26ClFN4O3.C25H29ClFN3O3.C24H26ClF2N3O3.C23H21ClN4O3.C19H19ClFN3O3S/c1-15-12-24(31-23(33)21-6-3-17(13-28)16(2)29-21)7-9-25(15,10-8-24)30-22(32)14-34-18-4-5-19(26)20(27)11-18;1-3-17-6-11-28-21(12-17)23(32)30-24-7-9-25(10-8-24,16(2)14-24)29-22(31)15-33-18-4-5-19(26)20(27)13-18;1-14-12-23(30-22(32)20-6-5-18(26)15(2)28-20)7-9-24(14,10-8-23)29-21(31)13-33-16-3-4-17(25)19(27)11-16;1-14-8-15(6-7-16(14)24)31-10-20(29)27-22-11-23(12-22,13-22)28-21(30)19-9-25-17-4-2-3-5-18(17)26-19;1-2-11-7-28-17(22-11)16(26)24-19-8-18(9-19,10-19)23-15(25)6-27-12-3-4-13(20)14(21)5-12/h3-6,11,15H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,33);4-6,11-13,16H,3,7-10,14-15H2,1-2H3,(H,29,31)(H,30,32);3-6,11,14H,7-10,12-13H2,1-2H3,(H,29,31)(H,30,32);2-9H,10-13H2,1H3,(H,27,29)(H,28,30);3-5,7H,2,6,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyHVEAQKORKQUDEX-UHFFFAOYSA-N
MW2297.67 g/mol
LogP19.15
Rot. Bonds32

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide (PubChem CID 158597112) has the molecular formula C116H121Cl5F5N17O15S and a molecular weight of 2297.67 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide
PubChem CID158597112
Molecular FormulaC116H121Cl5F5N17O15S
Molecular Weight2297.67 g/mol
Exact Mass2293.73
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide
SMILESCCc1ccnc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)c1.CCc1csc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ccccc5n4)(C2)C3)ccc1Cl.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)ccc1C#N.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)ccc1F
InChIInChI=1S/C25H26ClFN4O3.C25H29ClFN3O3.C24H26ClF2N3O3.C23H21ClN4O3.C19H19ClFN3O3S/c1-15-12-24(31-23(33)21-6-3-17(13-28)16(2)29-21)7-9-25(15,10-8-24)30-22(32)14-34-18-4-5-19(26)20(27)11-18;1-3-17-6-11-28-21(12-17)23(32)30-24-7-9-25(10-8-24,16(2)14-24)29-22(31)15-33-18-4-5-19(26)20(27)13-18;1-14-12-23(30-22(32)20-6-5-18(26)15(2)28-20)7-9-24(14,10-8-23)29-21(31)13-33-16-3-4-17(25)19(27)11-16;1-14-8-15(6-7-16(14)24)31-10-20(29)27-22-11-23(12-22,13-22)28-21(30)19-9-25-17-4-2-3-5-18(17)26-19;1-2-11-7-28-17(22-11)16(26)24-19-8-18(9-19,10-19)23-15(25)6-27-12-3-4-13(20)14(21)5-12/h3-6,11,15H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,33);4-6,11-13,16H,3,7-10,14-15H2,1-2H3,(H,29,31)(H,30,32);3-6,11,14H,7-10,12-13H2,1-2H3,(H,29,31)(H,30,32);2-9H,10-13H2,1H3,(H,27,29)(H,28,30);3-5,7H,2,6,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyHVEAQKORKQUDEX-UHFFFAOYSA-N
XLogP19.15
TPSA438.28 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002297.67
LogP ≤ 519.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide with MolForge

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Related Compounds

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-6-(3-fluorophenyl)pyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-6-fluoroquinoxaline-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(3-cyano-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;6-fluoro-N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide
CID 159588892
5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-methylpyridine-2-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-(difluoromethyl)thiophene-2-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-methylpyrazine-2-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]quinoxaline-2-carboxamide
CID 159757477
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(methoxymethyl)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(6-cyano-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 160585863
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 160721531
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide
CID 160926512
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide (CID 158597112) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide is CCc1ccnc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)c1.CCc1csc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ccccc5n4)(C2)C3)ccc1Cl.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)ccc1C#N.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)ccc1F.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide?
The InChIKey is HVEAQKORKQUDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O3.C25H29ClFN3O3.C24H26ClF2N3O3.C23H21ClN4O3.C19H19ClFN3O3S/c1-15-12-24(31-23(33)21-6-3-17(13-28)16(2)29-21)7-9-25(15,10-8-24)30-22(32)14-34-18-4-5-19(26)20(27)11-18;1-3-17-6-11-28-21(12-17)23(32)30-24-7-9-25(10-8-24,16(2)14-24)29-22(31)15-33-18-4-5-19(26)20(27)13-18;1-14-12-23(30-22(32)20-6-5-18(26)15(2)28-20)7-9-24(14,10-8-23)29-21(31)13-33-16-3-4-17(25)19(27)11-16;1-14-8-15(6-7-16(14)24)31-10-20(29)27-22-11-23(12-22,13-22)28-21(30)19-9-25-17-4-2-3-5-18(17)26-19;1-2-11-7-28-17(22-11)16(26)24-19-8-18(9-19,10-19)23-15(25)6-27-12-3-4-13(20)14(21)5-12/h3-6,11,15H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,33);4-6,11-13,16H,3,7-10,14-15H2,1-2H3,(H,29,31)(H,30,32);3-6,11,14H,7-10,12-13H2,1-2H3,(H,29,31)(H,30,32);2-9H,10-13H2,1H3,(H,27,29)(H,28,30);3-5,7H,2,6,8-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide has a molecular weight of 2297.67 g/mol, XLogP of 19.15, 32 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-ethyl-1,3-thiazole-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-cyano-6-methylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-ethylpyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-fluoro-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 158597112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).