2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C106H103Cl4F5N14O17S2 — CID 159240774

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 159240774) has the molecular formula C106H103Cl4F5N14O17S2 and a molecular weight of 2146.01 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 159240774
• Molecular Formula: C106H103Cl4F5N14O17S2
• Molecular Weight: 2146.01 g/mol
• Exact Mass: 2142.57
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1cccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.CSCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4c(C)nc5sccn45)(C2)C3)ccc1Cl.Cc1ccc(F)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cnc2cc(C(=O)NC34CC(NC(=O)COc5ccc(C)c(F)c5)(C3)C4)nn2c1
• InChI: InChI=1S/C22H22FN5O3.C21H19ClF2N2O3.C21H20ClFN2O4.C21H21ClFNO4S.C21H21ClN4O3S/c1-13-7-24-18-6-17(27-28(18)8-13)20(30)26-22-10-21(11-22,12-22)25-19(29)9-31-15-4-3-14(2)16(23)5-15;1-12-2-5-15(23)19(25-12)17(27)7-20-9-21(10-20,11-20)26-18(28)8-29-13-3-4-14(22)16(24)6-13;1-28-19-4-2-3-16(24-19)17(26)8-20-10-21(11-20,12-20)25-18(27)9-29-13-5-6-14(22)15(23)7-13;1-29-9-14-3-5-18(28-14)17(25)7-20-10-21(11-20,12-20)24-19(26)8-27-13-2-4-15(22)16(23)6-13;1-12-7-14(3-4-15(12)22)29-8-16(27)24-20-9-21(10-20,11-20)25-18(28)17-13(2)23-19-26(17)5-6-30-19/h3-8H,9-12H2,1-2H3,(H,25,29)(H,26,30);2-6H,7-11H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,27);2-6H,7-12H2,1H3,(H,24,26);3-7H,8-11H2,1-2H3,(H,24,27)(H,25,28)
• InChIKey: KUBHYSLBEFOBJP-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 396.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.01
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 159240774) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.CSCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4c(C)nc5sccn45)(C2)C3)ccc1Cl.Cc1ccc(F)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cnc2cc(C(=O)NC34CC(NC(=O)COc5ccc(C)c(F)c5)(C3)C4)nn2c1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is KUBHYSLBEFOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3.C21H19ClF2N2O3.C21H20ClFN2O4.C21H21ClFNO4S.C21H21ClN4O3S/c1-13-7-24-18-6-17(27-28(18)8-13)20(30)26-22-10-21(11-22,12-22)25-19(29)9-31-15-4-3-14(2)16(23)5-15;1-12-2-5-15(23)19(25-12)17(27)7-20-9-21(10-20,11-20)26-18(28)8-29-13-3-4-14(22)16(24)6-13;1-28-19-4-2-3-16(24-19)17(26)8-20-10-21(11-20,12-20)25-18(27)9-29-13-5-6-14(22)15(23)7-13;1-29-9-14-3-5-18(28-14)17(25)7-20-10-21(11-20,12-20)24-19(26)8-27-13-2-4-15(22)16(23)6-13;1-12-7-14(3-4-15(12)22)29-8-16(27)24-20-9-21(10-20,11-20)25-18(28)17-13(2)23-19-26(17)5-6-30-19/h3-8H,9-12H2,1-2H3,(H,25,29)(H,26,30);2-6H,7-11H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,27);2-6H,7-12H2,1H3,(H,24,26);3-7H,8-11H2,1-2H3,(H,24,27)(H,25,28).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 2146.01 g/mol, XLogP of 17.56, 36 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-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]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 159240774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).