N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C88H86Cl6F3N9O12 — CID 158330423

IUPACN-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)cn1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)cn1.CC/C=C/c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(Cl)cc4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H24ClFN2O3.C22H21Cl2NO3.C21H20Cl2FN3O3.C21H21ClFN3O3/c1-2-3-4-16-7-8-27-20(9-16)21(29)11-23-13-24(14-23,15-23)28-22(30)12-31-17-5-6-18(25)19(26)10-17;1-14-8-18(6-7-19(14)24)28-10-17(26)9-21-11-22(12-21,13-21)25-20(27)15-2-4-16(23)5-3-15;1-12(24)16-6-26-17(7-25-16)18(28)5-20-9-21(10-20,11-20)27-19(29)8-30-13-2-3-14(22)15(23)4-13;1-13(23)16-7-25-17(8-24-16)18(27)6-20-10-21(11-20,12-20)26-19(28)9-29-15-4-2-14(22)3-5-15/h3-10H,2,11-15H2,1H3,(H,28,30);2-8H,9-13H2,1H3,(H,25,27);2-4,6-7,12H,5,8-11H2,1H3,(H,27,29);2-5,7-8,13H,6,9-12H2,1H3,(H,26,28)/b4-3+;;;
InChIKeyGPXYXOFTPWCWBO-FHJHGPAASA-N
MW1731.42 g/mol
LogP18.34
Rot. Bonds32

About N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 158330423) has the molecular formula C88H86Cl6F3N9O12 and a molecular weight of 1731.42 g/mol. Its IUPAC name is N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID158330423
Molecular FormulaC88H86Cl6F3N9O12
Molecular Weight1731.42 g/mol
Exact Mass1727.45
IUPAC NameN-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)cn1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)cn1.CC/C=C/c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(Cl)cc4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H24ClFN2O3.C22H21Cl2NO3.C21H20Cl2FN3O3.C21H21ClFN3O3/c1-2-3-4-16-7-8-27-20(9-16)21(29)11-23-13-24(14-23,15-23)28-22(30)12-31-17-5-6-18(25)19(26)10-17;1-14-8-18(6-7-19(14)24)28-10-17(26)9-21-11-22(12-21,13-21)25-20(27)15-2-4-16(23)5-3-15;1-12(24)16-6-26-17(7-25-16)18(28)5-20-9-21(10-20,11-20)27-19(29)8-30-13-2-3-14(22)15(23)4-13;1-13(23)16-7-25-17(8-24-16)18(27)6-20-10-21(11-20,12-20)26-19(28)9-29-15-4-2-14(22)3-5-15/h3-10H,2,11-15H2,1H3,(H,28,30);2-8H,9-13H2,1H3,(H,25,27);2-4,6-7,12H,5,8-11H2,1H3,(H,27,29);2-5,7-8,13H,6,9-12H2,1H3,(H,26,28)/b4-3+;;;
InChIKeyGPXYXOFTPWCWBO-FHJHGPAASA-N
XLogP18.34
TPSA286.05 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001731.42
LogP ≤ 518.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 158330423) is N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)cn1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)cn1.CC/C=C/c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(Cl)cc4)(C2)C3)ccc1Cl.
What is the InChIKey of N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is GPXYXOFTPWCWBO-FHJHGPAASA-N. The full InChI is InChI=1S/C24H24ClFN2O3.C22H21Cl2NO3.C21H20Cl2FN3O3.C21H21ClFN3O3/c1-2-3-4-16-7-8-27-20(9-16)21(29)11-23-13-24(14-23,15-23)28-22(30)12-31-17-5-6-18(25)19(26)10-17;1-14-8-18(6-7-19(14)24)28-10-17(26)9-21-11-22(12-21,13-21)25-20(27)15-2-4-16(23)5-3-15;1-12(24)16-6-26-17(7-25-16)18(28)5-20-9-21(10-20,11-20)27-19(29)8-30-13-2-3-14(22)15(23)4-13;1-13(23)16-7-25-17(8-24-16)18(27)6-20-10-21(11-20,12-20)26-19(28)9-29-15-4-2-14(22)3-5-15/h3-10H,2,11-15H2,1H3,(H,28,30);2-8H,9-13H2,1H3,(H,25,27);2-4,6-7,12H,5,8-11H2,1H3,(H,27,29);2-5,7-8,13H,6,9-12H2,1H3,(H,26,28)/b4-3+;;;.
What are the key properties of N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 1731.42 g/mol, XLogP of 18.34, 32 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 158330423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).