3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide

C110H115Cl6F4N13O17 — CID 162215702

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 162215702) has the molecular formula C110H115Cl6F4N13O17 and a molecular weight of 2179.91 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 162215702
• Molecular Formula: C110H115Cl6F4N13O17
• Molecular Weight: 2179.91 g/mol
• Exact Mass: 2175.66
• IUPAC Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CCc1nccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.COc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4cccc(Cl)c4)(C2)C3)ccc1Cl.Cc1cccnc1CCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1coc(C)c1CCCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
• InChI: InChI=1S/C23H26ClFN2O4.C22H22Cl2N2O3.C22H23ClFN3O3.C22H22ClFN2O4.C21H22ClFN4O3/c1-14-9-30-15(2)17(14)4-3-7-26-21(29)22-11-23(12-22,13-22)27-20(28)10-31-16-5-6-18(24)19(25)8-16;1-14-7-17(5-6-18(14)24)29-10-19(27)26-22-11-21(12-22,13-22)20(28)25-9-15-3-2-4-16(23)8-15;1-14-3-2-7-25-18(14)6-8-26-20(29)21-11-22(12-21,13-21)27-19(28)10-30-15-4-5-16(23)17(24)9-15;1-29-15-4-2-3-14(7-15)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-30-16-5-6-17(23)18(24)8-16;1-2-17-24-6-5-13(26-17)8-25-19(29)20-10-21(11-20,12-20)27-18(28)9-30-14-3-4-15(22)16(23)7-14/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,26,29)(H,27,28);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-5,7,9H,6,8,10-13H2,1H3,(H,26,29)(H,27,28);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);3-7H,2,8-12H2,1H3,(H,25,29)(H,27,28)
• InChIKey: ZTKYRMXKVSQXJT-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 398.19 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2179.91
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 162215702) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide is CCc1nccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.COc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4cccc(Cl)c4)(C2)C3)ccc1Cl.Cc1cccnc1CCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1coc(C)c1CCCNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.

What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is ZTKYRMXKVSQXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O4.C22H22Cl2N2O3.C22H23ClFN3O3.C22H22ClFN2O4.C21H22ClFN4O3/c1-14-9-30-15(2)17(14)4-3-7-26-21(29)22-11-23(12-22,13-22)27-20(28)10-31-16-5-6-18(24)19(25)8-16;1-14-7-17(5-6-18(14)24)29-10-19(27)26-22-11-21(12-22,13-22)20(28)25-9-15-3-2-4-16(23)8-15;1-14-3-2-7-25-18(14)6-8-26-20(29)21-11-22(12-21,13-21)27-19(28)10-30-15-4-5-16(23)17(24)9-15;1-29-15-4-2-3-14(7-15)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-30-16-5-6-17(23)18(24)8-16;1-2-17-24-6-5-13(26-17)8-25-19(29)20-10-21(11-20,12-20)27-18(28)9-30-14-3-4-15(22)16(23)7-14/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,26,29)(H,27,28);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-5,7,9H,6,8,10-13H2,1H3,(H,26,29)(H,27,28);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);3-7H,2,8-12H2,1H3,(H,25,29)(H,27,28).

What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 2179.91 g/mol, XLogP of 16.64, 40 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(2,4-dimethylfuran-3-yl)propyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-ethylpyrimidin-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(3-methyl-2-pyridinyl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 162215702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).