N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide

C105H110Cl5F2N19O16S2 — CID 162282237

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 162282237) has the molecular formula C105H110Cl5F2N19O16S2 and a molecular weight of 2173.55 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 162282237
• Molecular Formula: C105H110Cl5F2N19O16S2
• Molecular Weight: 2173.55 g/mol
• Exact Mass: 2169.62
• IUPAC Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide
• SMILES: CC(C)c1ncsc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cccc(Cn5ccnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnsn4)(C2)C3)ccc1Cl.Cc1cccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.[H]/N=C/C(=N\C(=C)C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(C)c3)(C1)C2)N1CCOCC1
• InChI: InChI=1S/C25H25ClN4O3.C23H28ClN5O4.C20H21ClFN3O3S.C20H19ClFN3O3.C17H17ClN4O3S/c1-17-9-20(5-6-21(17)26)33-12-22(31)28-24-13-25(14-24,15-24)29-23(32)19-4-2-3-18(10-19)11-30-8-7-27-16-30;1-15-9-17(3-4-18(15)24)33-11-20(30)27-22-12-23(13-22,14-22)28-21(31)16(2)26-19(10-25)29-5-7-32-8-6-29;1-11(2)16-17(29-10-23-16)18(27)25-20-7-19(8-20,9-20)24-15(26)6-28-12-3-4-13(21)14(22)5-12;1-12-3-2-4-16(23-12)18(27)25-20-9-19(10-20,11-20)24-17(26)8-28-13-5-6-14(21)15(22)7-13;1-10-4-11(2-3-12(10)18)25-6-14(23)20-16-7-17(8-16,9-16)21-15(24)13-5-19-26-22-13/h2-10,16H,11-15H2,1H3,(H,28,31)(H,29,32);3-4,9-10,25H,2,5-8,11-14H2,1H3,(H,27,30)(H,28,31);3-5,10-11H,6-9H2,1-2H3,(H,24,26)(H,25,27);2-7H,8-11H2,1H3,(H,24,26)(H,25,27);2-5H,6-9H2,1H3,(H,20,23)(H,21,24)/b;25-10+,26-19+
• InChIKey: JYRQOVBNPWKEDQ-WQPHXOHHSA-N
• XLogP: 13.86
• TPSA: 455.21 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.55
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide (CID 162282237) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide is CC(C)c1ncsc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cccc(Cn5ccnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnsn4)(C2)C3)ccc1Cl.Cc1cccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.[H]/N=C/C(=N\C(=C)C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(C)c3)(C1)C2)N1CCOCC1.

What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is JYRQOVBNPWKEDQ-WQPHXOHHSA-N. The full InChI is InChI=1S/C25H25ClN4O3.C23H28ClN5O4.C20H21ClFN3O3S.C20H19ClFN3O3.C17H17ClN4O3S/c1-17-9-20(5-6-21(17)26)33-12-22(31)28-24-13-25(14-24,15-24)29-23(32)19-4-2-3-18(10-19)11-30-8-7-27-16-30;1-15-9-17(3-4-18(15)24)33-11-20(30)27-22-12-23(13-22,14-22)28-21(31)16(2)26-19(10-25)29-5-7-32-8-6-29;1-11(2)16-17(29-10-23-16)18(27)25-20-7-19(8-20,9-20)24-15(26)6-28-12-3-4-13(21)14(22)5-12;1-12-3-2-4-16(23-12)18(27)25-20-9-19(10-20,11-20)24-17(26)8-28-13-5-6-14(21)15(22)7-13;1-10-4-11(2-3-12(10)18)25-6-14(23)20-16-7-17(8-16,9-16)21-15(24)13-5-19-26-22-13/h2-10,16H,11-15H2,1H3,(H,28,31)(H,29,32);3-4,9-10,25H,2,5-8,11-14H2,1H3,(H,27,30)(H,28,31);3-5,10-11H,6-9H2,1-2H3,(H,24,26)(H,25,27);2-7H,8-11H2,1H3,(H,24,26)(H,25,27);2-5H,6-9H2,1H3,(H,20,23)(H,21,24)/b;25-10+,26-19+;;;.

What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide?

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2173.55 g/mol, XLogP of 13.86, 35 rotatable bonds, 11 hydrogen bond donors, and 26 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]-6-methylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(imidazol-1-ylmethyl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(2-imino-1-morpholin-4-ylethylidene)amino]prop-2-enamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 162282237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).