6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide

C105H99Cl5F3N19O16S2 — CID 158536746

About 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide

6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 158536746) has the molecular formula C105H99Cl5F3N19O16S2 and a molecular weight of 2181.46 g/mol. Its IUPAC name is 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 158536746
• Molecular Formula: C105H99Cl5F3N19O16S2
• Molecular Weight: 2181.46 g/mol
• Exact Mass: 2177.54
• IUPAC Name: 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide
• SMILES: CC(=O)Nc1cccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1c(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cnn1C.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cc5nccnc5s4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc(C#N)s4)(C2)C3)ccc1Cl.Cc1nccn1-c1ccccc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
• InChI: InChI=1S/C24H22ClFN4O3.C21H20ClFN4O4.C21H19ClN4O3S.C20H18ClN3O3S.C19H20ClFN4O3/c1-15-27-8-9-30(15)20-5-3-2-4-17(20)22(32)29-24-12-23(13-24,14-24)28-21(31)11-33-16-6-7-18(25)19(26)10-16;1-12(28)24-17-4-2-3-16(25-17)19(30)27-21-9-20(10-21,11-21)26-18(29)8-31-13-5-6-14(22)15(23)7-13;1-12-6-13(2-3-14(12)22)29-8-17(27)25-20-9-21(10-20,11-20)26-18(28)16-7-15-19(30-16)24-5-4-23-15;1-12-6-13(2-4-15(12)21)27-8-17(25)23-19-9-20(10-19,11-19)24-18(26)16-5-3-14(7-22)28-16;1-11-13(6-22-25(11)2)17(27)24-19-8-18(9-19,10-19)23-16(26)7-28-12-3-4-14(20)15(21)5-12/h2-10H,11-14H2,1H3,(H,28,31)(H,29,32);2-7H,8-11H2,1H3,(H,26,29)(H,27,30)(H,24,25,28);2-7H,8-11H2,1H3,(H,25,27)(H,26,28);2-6H,8-11H2,1H3,(H,23,25)(H,24,26);3-6H,7-10H2,1-2H3,(H,23,26)(H,24,27)
• InChIKey: HOANNXWEQARVGD-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 464.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.46
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 158536746) is 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide.

What is the SMILES notation for 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide is CC(=O)Nc1cccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1c(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cnn1C.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cc5nccnc5s4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc(C#N)s4)(C2)C3)ccc1Cl.Cc1nccn1-c1ccccc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.

What is the InChIKey of 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is HOANNXWEQARVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O3.C21H20ClFN4O4.C21H19ClN4O3S.C20H18ClN3O3S.C19H20ClFN4O3/c1-15-27-8-9-30(15)20-5-3-2-4-17(20)22(32)29-24-12-23(13-24,14-24)28-21(31)11-33-16-6-7-18(25)19(26)10-16;1-12(28)24-17-4-2-3-16(25-17)19(30)27-21-9-20(10-21,11-21)26-18(29)8-31-13-5-6-14(22)15(23)7-13;1-12-6-13(2-3-14(12)22)29-8-17(27)25-20-9-21(10-20,11-20)26-18(28)16-7-15-19(30-16)24-5-4-23-15;1-12-6-13(2-4-15(12)21)27-8-17(25)23-19-9-20(10-19,11-19)24-18(26)16-5-3-14(7-22)28-16;1-11-13(6-22-25(11)2)17(27)24-19-8-18(9-19,10-19)23-16(26)7-28-12-3-4-14(20)15(21)5-12/h2-10H,11-14H2,1H3,(H,28,31)(H,29,32);2-7H,8-11H2,1H3,(H,26,29)(H,27,30)(H,24,25,28);2-7H,8-11H2,1H3,(H,25,27)(H,26,28);2-6H,8-11H2,1H3,(H,23,25)(H,24,26);3-6H,7-10H2,1-2H3,(H,23,26)(H,24,27).

What are the key properties of 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide?

6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 2181.46 g/mol, XLogP of 14.56, 32 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 158536746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).