3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide

C109H113Cl6F5N14O17 — CID 159747900

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 159747900) has the molecular formula C109H113Cl6F5N14O17 and a molecular weight of 2198.89 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 159747900
• Molecular Formula: C109H113Cl6F5N14O17
• Molecular Weight: 2198.89 g/mol
• Exact Mass: 2194.65
• IUPAC Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC(F)Oc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCCn4cccn4)(C2)C3)ccc1Cl.Cc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c(C)n1.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCCCc3cccnc3)(C1)C2
• InChI: InChI=1S/C23H23ClF2N2O4.C22H21Cl2FN2O4.2C22H23ClFN3O3.C20H23ClN4O3/c1-14(25)32-17-4-2-3-15(7-17)9-27-21(30)22-11-23(12-22,13-22)28-20(29)10-31-16-5-6-18(24)19(26)8-16;1-30-18-5-2-13(6-16(18)24)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-31-14-3-4-15(23)17(25)7-14;1-13-3-4-15(14(2)26-13)8-25-20(29)21-10-22(11-21,12-21)27-19(28)9-30-16-5-6-17(23)18(24)7-16;23-17-6-5-16(9-18(17)24)30-11-19(28)27-22-12-21(13-22,14-22)20(29)26-8-2-4-15-3-1-7-25-10-15;1-14-9-15(3-4-16(14)21)28-10-17(26)24-20-11-19(12-20,13-20)18(27)22-6-8-25-7-2-5-23-25/h2-8,14H,9-13H2,1H3,(H,27,30)(H,28,29);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);3-7H,8-12H2,1-2H3,(H,25,29)(H,27,28);1,3,5-7,9-10H,2,4,8,11-14H2,(H,26,29)(H,27,28);2-5,7,9H,6,8,10-13H2,1H3,(H,22,27)(H,24,26)
• InChIKey: NDGXLNVZAZSMLX-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 399.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 41
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2198.89
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

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-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 159747900) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide is CC(F)Oc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCCn4cccn4)(C2)C3)ccc1Cl.Cc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c(C)n1.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCCCc3cccnc3)(C1)C2.

What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is NDGXLNVZAZSMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N2O4.C22H21Cl2FN2O4.2C22H23ClFN3O3.C20H23ClN4O3/c1-14(25)32-17-4-2-3-15(7-17)9-27-21(30)22-11-23(12-22,13-22)28-20(29)10-31-16-5-6-18(24)19(26)8-16;1-30-18-5-2-13(6-16(18)24)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-31-14-3-4-15(23)17(25)7-14;1-13-3-4-15(14(2)26-13)8-25-20(29)21-10-22(11-21,12-21)27-19(28)9-30-16-5-6-17(23)18(24)7-16;23-17-6-5-16(9-18(17)24)30-11-19(28)27-22-12-21(13-22,14-22)20(29)26-8-2-4-15-3-1-7-25-10-15;1-14-9-15(3-4-16(14)21)28-10-17(26)24-20-11-19(12-20,13-20)18(27)22-6-8-25-7-2-5-23-25/h2-8,14H,9-13H2,1H3,(H,27,30)(H,28,29);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);3-7H,8-12H2,1-2H3,(H,25,29)(H,27,28);1,3,5-7,9-10H,2,4,8,11-14H2,(H,26,29)(H,27,28);2-5,7,9H,6,8,10-13H2,1H3,(H,22,27)(H,24,26).

What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide?

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 2198.89 g/mol, XLogP of 16.13, 41 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-chloro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 159747900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).