3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide

C109H112Cl5F5N12O17 — CID 157445833

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 157445833) has the molecular formula C109H112Cl5F5N12O17 and a molecular weight of 2134.42 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 157445833
• Molecular Formula: C109H112Cl5F5N12O17
• Molecular Weight: 2134.42 g/mol
• Exact Mass: 2130.66
• IUPAC Name: 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC(F)Oc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.CC(NC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2)c1ccccc1.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4cnoc4)(C2)C3)ccc1Cl.Cc1ccc(CC(C)NC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1
• InChI: InChI=1S/C24H26ClFN2O3.C23H23ClF2N2O4.C22H22ClFN2O3.C21H21ClFN3O3.C19H20ClN3O4/c1-15-3-5-17(6-4-15)9-16(2)27-22(30)23-12-24(13-23,14-23)28-21(29)11-31-18-7-8-19(25)20(26)10-18;1-14(25)32-16-4-2-15(3-5-16)9-27-21(30)22-11-23(12-22,13-22)28-20(29)10-31-17-6-7-18(24)19(26)8-17;1-14(15-5-3-2-4-6-15)25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-7-8-17(23)18(24)9-16;1-13-2-3-14(24-7-13)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;1-12-4-14(2-3-15(12)20)26-8-16(24)23-19-9-18(10-19,11-19)17(25)21-5-13-6-22-27-7-13/h3-8,10,16H,9,11-14H2,1-2H3,(H,27,30)(H,28,29);2-8,14H,9-13H2,1H3,(H,27,30)(H,28,29);2-9,14H,10-13H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-4,6-7H,5,8-11H2,1H3,(H,21,25)(H,23,24)
• InChIKey: BSFCTIWQOBOEHO-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 385.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 38
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2134.42
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 157445833) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide is CC(F)Oc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.CC(NC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2)c1ccccc1.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4cnoc4)(C2)C3)ccc1Cl.Cc1ccc(CC(C)NC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.

What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is BSFCTIWQOBOEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O3.C23H23ClF2N2O4.C22H22ClFN2O3.C21H21ClFN3O3.C19H20ClN3O4/c1-15-3-5-17(6-4-15)9-16(2)27-22(30)23-12-24(13-23,14-23)28-21(29)11-31-18-7-8-19(25)20(26)10-18;1-14(25)32-16-4-2-15(3-5-16)9-27-21(30)22-11-23(12-22,13-22)28-20(29)10-31-17-6-7-18(24)19(26)8-17;1-14(15-5-3-2-4-6-15)25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-7-8-17(23)18(24)9-16;1-13-2-3-14(24-7-13)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;1-12-4-14(2-3-15(12)20)26-8-16(24)23-19-9-18(10-19,11-19)17(25)21-5-13-6-22-27-7-13/h3-8,10,16H,9,11-14H2,1-2H3,(H,27,30)(H,28,29);2-8,14H,9-13H2,1H3,(H,27,30)(H,28,29);2-9,14H,10-13H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-4,6-7H,5,8-11H2,1H3,(H,21,25)(H,23,24).

What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 2134.42 g/mol, XLogP of 16.92, 38 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(1,2-oxazol-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 157445833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).