2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide

C85H77Cl4F2N9O12S4 — CID 161336025

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 161336025) has the molecular formula C85H77Cl4F2N9O12S4 and a molecular weight of 1724.68 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 161336025
• Molecular Formula: C85H77Cl4F2N9O12S4
• Molecular Weight: 1724.68 g/mol
• Exact Mass: 1721.33
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc5cccnc5s4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc5nsnc5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cn5ccsc5n4)(C2)C3)ccc1Cl.O=C(COc1ccc(Cl)c(F)c1)NC12CC(CC(=O)c3sccc3F)(C1)C2
• InChI: InChI=1S/C23H21ClN2O3S.C22H20ClN3O3S.C21H20ClN3O3S.C19H16ClF2NO3S/c1-14-7-17(4-5-18(14)24)29-10-16(27)9-22-11-23(12-22,13-22)26-20(28)19-8-15-3-2-6-25-21(15)30-19;1-13-6-16(3-4-17(13)23)29-9-15(27)8-21-10-22(11-21,12-21)24-20(28)14-2-5-18-19(7-14)26-30-25-18;1-13-6-15(2-3-16(13)22)28-9-14(26)7-20-10-21(11-20,12-20)24-18(27)17-8-25-4-5-29-19(25)23-17;20-12-2-1-11(5-14(12)22)26-7-16(25)23-19-8-18(9-19,10-19)6-15(24)17-13(21)3-4-27-17/h2-8H,9-13H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,24,28);2-6,8H,7,9-12H2,1H3,(H,24,27);1-5H,6-10H2,(H,23,25)
• InChIKey: VMAVIBPMKCQFEW-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 277.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1724.68
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide (CID 161336025) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc5cccnc5s4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc5nsnc5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cn5ccsc5n4)(C2)C3)ccc1Cl.O=C(COc1ccc(Cl)c(F)c1)NC12CC(CC(=O)c3sccc3F)(C1)C2.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is VMAVIBPMKCQFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S.C22H20ClN3O3S.C21H20ClN3O3S.C19H16ClF2NO3S/c1-14-7-17(4-5-18(14)24)29-10-16(27)9-22-11-23(12-22,13-22)26-20(28)19-8-15-3-2-6-25-21(15)30-19;1-13-6-16(3-4-17(13)23)29-9-15(27)8-21-10-22(11-21,12-21)24-20(28)14-2-5-18-19(7-14)26-30-25-18;1-13-6-15(2-3-16(13)22)28-9-14(26)7-20-10-21(11-20,12-20)24-18(27)17-8-25-4-5-29-19(25)23-17;20-12-2-1-11(5-14(12)22)26-7-16(25)23-19-8-18(9-19,10-19)6-15(24)17-13(21)3-4-27-17/h2-8H,9-13H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,24,28);2-6,8H,7,9-12H2,1H3,(H,24,27);1-5H,6-10H2,(H,23,25).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1724.68 g/mol, XLogP of 17.71, 28 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluorothiophen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2,1,3-benzothiadiazole-5-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 161336025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).