2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C86H84Cl4F2N10O13 — CID 158153725

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(C)Oc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc(C#N)ccn4)(C2)C3)ccc1Cl.Cc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1
InChIInChI=1S/C23H25ClN2O4.C22H20ClN3O3.C21H20ClFN2O3.C20H19ClFN3O3/c1-15(2)30-18-7-8-19(25-10-18)20(27)9-22-12-23(13-22,14-22)26-21(28)11-29-17-5-3-16(24)4-6-17;1-14-6-17(2-3-18(14)23)29-10-16(27)8-21-11-22(12-21,13-21)26-20(28)19-7-15(9-24)4-5-25-19;1-13-4-5-24-17(6-13)18(26)8-20-10-21(11-20,12-20)25-19(27)9-28-14-2-3-15(22)16(23)7-14;1-12-6-24-16(7-23-12)17(26)5-19-9-20(10-19,11-19)25-18(27)8-28-13-2-3-14(21)15(22)4-13/h3-8,10,15H,9,11-14H2,1-2H3,(H,26,28);2-7H,8,10-13H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,27);2-4,6-7H,5,8-11H2,1H3,(H,25,27)
InChIKeyFVKWTKZBPKAPKJ-UHFFFAOYSA-N
MW1645.48 g/mol
LogP14.96
Rot. Bonds30

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 158153725) has the molecular formula C86H84Cl4F2N10O13 and a molecular weight of 1645.48 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID158153725
Molecular FormulaC86H84Cl4F2N10O13
Molecular Weight1645.48 g/mol
Exact Mass1642.49
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(C)Oc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc(C#N)ccn4)(C2)C3)ccc1Cl.Cc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1
InChIInChI=1S/C23H25ClN2O4.C22H20ClN3O3.C21H20ClFN2O3.C20H19ClFN3O3/c1-15(2)30-18-7-8-19(25-10-18)20(27)9-22-12-23(13-22,14-22)26-21(28)11-29-17-5-3-16(24)4-6-17;1-14-6-17(2-3-18(14)23)29-10-16(27)8-21-11-22(12-21,13-21)26-20(28)19-7-15(9-24)4-5-25-19;1-13-4-5-24-17(6-13)18(26)8-20-10-21(11-20,12-20)25-19(27)9-28-14-2-3-15(22)16(23)7-14;1-12-6-24-16(7-23-12)17(26)5-19-9-20(10-19,11-19)25-18(27)8-28-13-2-3-14(21)15(22)4-13/h3-8,10,15H,9,11-14H2,1-2H3,(H,26,28);2-7H,8,10-13H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,27);2-4,6-7H,5,8-11H2,1H3,(H,25,27)
InChIKeyFVKWTKZBPKAPKJ-UHFFFAOYSA-N
XLogP14.96
TPSA319.07 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.48
LogP ≤ 514.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 158153725) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(C)Oc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc(C#N)ccn4)(C2)C3)ccc1Cl.Cc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is FVKWTKZBPKAPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4.C22H20ClN3O3.C21H20ClFN2O3.C20H19ClFN3O3/c1-15(2)30-18-7-8-19(25-10-18)20(27)9-22-12-23(13-22,14-22)26-21(28)11-29-17-5-3-16(24)4-6-17;1-14-6-17(2-3-18(14)23)29-10-16(27)8-21-11-22(12-21,13-21)26-20(28)19-7-15(9-24)4-5-25-19;1-13-4-5-24-17(6-13)18(26)8-20-10-21(11-20,12-20)25-19(27)9-28-14-2-3-15(22)16(23)7-14;1-12-6-24-16(7-23-12)17(26)5-19-9-20(10-19,11-19)25-18(27)8-28-13-2-3-14(21)15(22)4-13/h3-8,10,15H,9,11-14H2,1-2H3,(H,26,28);2-7H,8,10-13H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,27);2-4,6-7H,5,8-11H2,1H3,(H,25,27).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 1645.48 g/mol, XLogP of 14.96, 30 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyanopyridine-2-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-oxo-2-(5-propan-2-yloxy-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 158153725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).