N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide

C110H113Cl7F3N13O15 — CID 162166117

About N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide

N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 162166117) has the molecular formula C110H113Cl7F3N13O15 and a molecular weight of 2162.35 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 162166117
• Molecular Formula: C110H113Cl7F3N13O15
• Molecular Weight: 2162.35 g/mol
• Exact Mass: 2157.63
• IUPAC Name: N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC(C)(C)c1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4c(Cl)cccc4Cl)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4cnccn4)(C2)C3)ccc1Cl.Cc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccncc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
• InChI: InChI=1S/C25H28ClFN2O3.C22H21Cl3N2O3.C22H22ClFN2O3.C21H21ClFN3O3.C20H21ClN4O3/c1-23(2,3)17-6-4-16(5-7-17)11-28-22(31)24-13-25(14-24,15-24)29-21(30)12-32-18-8-9-19(26)20(27)10-18;1-13-7-14(5-6-16(13)23)30-9-19(28)27-22-10-21(11-22,12-22)20(29)26-8-15-17(24)3-2-4-18(15)25;1-14-3-2-4-15(7-14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-5-6-17(23)18(24)8-16;1-13-4-5-24-7-14(13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-2-3-16(22)17(23)6-15;1-13-6-15(2-3-16(13)21)28-9-17(26)25-20-10-19(11-20,12-20)18(27)24-8-14-7-22-4-5-23-14/h4-10H,11-15H2,1-3H3,(H,28,31)(H,29,30);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,24,27)(H,25,26)
• InChIKey: ZNDOHJIFMYNQAS-UHFFFAOYSA-N
• XLogP: 17.81
• TPSA: 375.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 35
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.35
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 162166117) is N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide is CC(C)(C)c1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4c(Cl)cccc4Cl)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4cnccn4)(C2)C3)ccc1Cl.Cc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccncc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.

What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is ZNDOHJIFMYNQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN2O3.C22H21Cl3N2O3.C22H22ClFN2O3.C21H21ClFN3O3.C20H21ClN4O3/c1-23(2,3)17-6-4-16(5-7-17)11-28-22(31)24-13-25(14-24,15-24)29-21(30)12-32-18-8-9-19(26)20(27)10-18;1-13-7-14(5-6-16(13)23)30-9-19(28)27-22-10-21(11-22,12-22)20(29)26-8-15-17(24)3-2-4-18(15)25;1-14-3-2-4-15(7-14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-5-6-17(23)18(24)8-16;1-13-4-5-24-7-14(13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-2-3-16(22)17(23)6-15;1-13-6-15(2-3-16(13)21)28-9-17(26)25-20-10-19(11-20,12-20)18(27)24-8-14-7-22-4-5-23-14/h4-10H,11-15H2,1-3H3,(H,28,31)(H,29,30);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-7H,8-12H2,1H3,(H,24,27)(H,25,26).

What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide?

N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 2162.35 g/mol, XLogP of 17.81, 35 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 162166117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).