N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide

C102H104Cl5F3N18O18S — CID 162294994

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 162294994) has the molecular formula C102H104Cl5F3N18O18S and a molecular weight of 2136.39 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

• Compound Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide
• PubChem CID: 162294994
• Molecular Formula: C102H104Cl5F3N18O18S
• Molecular Weight: 2136.39 g/mol
• Exact Mass: 2132.59
• IUPAC Name: N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide
• SMILES: CS(=O)(=O)c1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1c[nH]c(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1C.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cccc(-n5cnnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnn5c4CCCC5)(C2)C3)ccc1Cl.Cn1ccnc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
• InChI: InChI=1S/C23H22ClN5O3.C22H25ClN4O3.C20H21ClFN3O3.C19H18ClFN2O6S.C18H18ClFN4O3/c1-15-7-18(5-6-19(15)24)32-9-20(30)27-22-10-23(11-22,12-22)28-21(31)16-3-2-4-17(8-16)29-13-25-26-14-29;1-14-8-15(5-6-17(14)23)30-10-19(28)25-21-11-22(12-21,13-21)26-20(29)16-9-24-27-7-3-2-4-18(16)27;1-11-6-23-17(12(11)2)18(27)25-20-8-19(9-20,10-20)24-16(26)7-28-13-3-4-14(21)15(22)5-13;1-30(26,27)16-5-4-14(29-16)17(25)23-19-8-18(9-19,10-19)22-15(24)7-28-11-2-3-12(20)13(21)6-11;1-24-5-4-21-15(24)16(26)23-18-8-17(9-18,10-18)22-14(25)7-27-11-2-3-12(19)13(20)6-11/h2-8,13-14H,9-12H2,1H3,(H,27,30)(H,28,31);5-6,8-9H,2-4,7,10-13H2,1H3,(H,25,28)(H,26,29);3-6,23H,7-10H2,1-2H3,(H,24,26)(H,25,27);2-6H,7-10H2,1H3,(H,22,24)(H,23,25);2-6H,7-10H2,1H3,(H,22,25)(H,23,26)
• InChIKey: VYUFUBGDOOLIMD-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 466.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.39
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide?

The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 162294994) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide.

What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide?

The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide is CS(=O)(=O)c1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1c[nH]c(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1C.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cccc(-n5cnnc5)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnn5c4CCCC5)(C2)C3)ccc1Cl.Cn1ccnc1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.

What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide?

The InChIKey is VYUFUBGDOOLIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3.C22H25ClN4O3.C20H21ClFN3O3.C19H18ClFN2O6S.C18H18ClFN4O3/c1-15-7-18(5-6-19(15)24)32-9-20(30)27-22-10-23(11-22,12-22)28-21(31)16-3-2-4-17(8-16)29-13-25-26-14-29;1-14-8-15(5-6-17(14)23)30-10-19(28)25-21-11-22(12-21,13-21)26-20(29)16-9-24-27-7-3-2-4-18(16)27;1-11-6-23-17(12(11)2)18(27)25-20-8-19(9-20,10-20)24-16(26)7-28-13-3-4-14(21)15(22)5-13;1-30(26,27)16-5-4-14(29-16)17(25)23-19-8-18(9-19,10-19)22-15(24)7-28-11-2-3-12(20)13(21)6-11;1-24-5-4-21-15(24)16(26)23-18-8-17(9-18,10-18)22-14(25)7-27-11-2-3-12(19)13(20)6-11/h2-8,13-14H,9-12H2,1H3,(H,27,30)(H,28,31);5-6,8-9H,2-4,7,10-13H2,1H3,(H,25,28)(H,26,29);3-6,23H,7-10H2,1-2H3,(H,24,26)(H,25,27);2-6H,7-10H2,1H3,(H,22,24)(H,23,25);2-6H,7-10H2,1H3,(H,22,25)(H,23,26).

What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide?

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 2136.39 g/mol, XLogP of 12.52, 32 rotatable bonds, 11 hydrogen bond donors, and 25 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]-3,4-dimethyl-1H-pyrrole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylimidazole-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 162294994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).