3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one

C135H137Cl6F6N11O20 — CID 158530339

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 158530339) has the molecular formula C135H137Cl6F6N11O20 and a molecular weight of 2560.34 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
• PubChem CID: 158530339
• Molecular Formula: C135H137Cl6F6N11O20
• Molecular Weight: 2560.34 g/mol
• Exact Mass: 2555.81
• IUPAC Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
• SMILES: COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(C(=O)CCCc4ccncc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(C(F)(F)F)cc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccncc4)(C2)C3)ccc1Cl.Cc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1
• InChI: InChI=1S/C25H24ClF3O3.C24H26ClNO3.C23H24ClNO3.2C21H21ClFN3O4.C21H21ClFN3O3/c1-16-10-20(7-8-21(16)26)32-12-19(30)11-23-13-24(14-23,15-23)22(31)9-4-17-2-5-18(6-3-17)25(27,28)29;1-17-11-20(5-6-21(17)25)29-13-19(27)12-23-14-24(15-23,16-23)22(28)4-2-3-18-7-9-26-10-8-18;1-16-10-19(3-4-20(16)24)28-12-18(26)11-22-13-23(14-22,15-22)21(27)5-2-17-6-8-25-9-7-17;1-29-18-5-2-13(7-24-18)8-25-19(28)20-10-21(11-20,12-20)26-17(27)9-30-14-3-4-15(22)16(23)6-14;1-29-18-4-2-3-13(25-18)8-24-19(28)20-10-21(11-20,12-20)26-17(27)9-30-14-5-6-15(22)16(23)7-14;1-13-2-3-14(7-24-13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-4-5-16(22)17(23)6-15/h2-3,5-8,10H,4,9,11-15H2,1H3;5-11H,2-4,12-16H2,1H3;3-4,6-10H,2,5,11-15H2,1H3;2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,24,28)(H,26,27);2-7H,8-12H2,1H3,(H,25,28)(H,26,27)
• InChIKey: HNHDDUKJHURWJL-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 415.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 51
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2560.34
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?

The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 158530339) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one.

What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?

The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one is COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(C(=O)CCCc4ccncc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(C(F)(F)F)cc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccncc4)(C2)C3)ccc1Cl.Cc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.

What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?

The InChIKey is HNHDDUKJHURWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3O3.C24H26ClNO3.C23H24ClNO3.2C21H21ClFN3O4.C21H21ClFN3O3/c1-16-10-20(7-8-21(16)26)32-12-19(30)11-23-13-24(14-23,15-23)22(31)9-4-17-2-5-18(6-3-17)25(27,28)29;1-17-11-20(5-6-21(17)25)29-13-19(27)12-23-14-24(15-23,16-23)22(28)4-2-3-18-7-9-26-10-8-18;1-16-10-19(3-4-20(16)24)28-12-18(26)11-22-13-23(14-22,15-22)21(27)5-2-17-6-8-25-9-7-17;1-29-18-5-2-13(7-24-18)8-25-19(28)20-10-21(11-20,12-20)26-17(27)9-30-14-3-4-15(22)16(23)6-14;1-29-18-4-2-3-13(25-18)8-24-19(28)20-10-21(11-20,12-20)26-17(27)9-30-14-5-6-15(22)16(23)7-14;1-13-2-3-14(7-24-13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-4-5-16(22)17(23)6-15/h2-3,5-8,10H,4,9,11-15H2,1H3;5-11H,2-4,12-16H2,1H3;3-4,6-10H,2,5,11-15H2,1H3;2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,24,28)(H,26,27);2-7H,8-12H2,1H3,(H,25,28)(H,26,27).

What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 2560.34 g/mol, XLogP of 24.42, 51 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-4-ylbutan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyridin-4-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 158530339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).