N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide

C91H91Cl4F3N14O14 — CID 160926512

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccc(C#N)cn1)CC2.COC/C=C/c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COCCCc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc(C#N)cn4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H24ClFN4O3.C23H25ClFN3O4.C23H23ClFN3O4.C21H19ClN4O3/c1-15-11-23(29-21(31)14-33-17-3-4-18(25)19(26)10-17)6-8-24(15,9-7-23)30-22(32)20-5-2-16(12-27)13-28-20;2*1-31-6-2-3-15-9-27-19(10-26-15)20(29)8-22-12-23(13-22,14-22)28-21(30)11-32-16-4-5-17(24)18(25)7-16;1-13-6-15(3-4-16(13)22)29-9-18(27)25-20-10-21(11-20,12-20)26-19(28)17-5-2-14(7-23)8-24-17/h2-5,10,13,15H,6-9,11,14H2,1H3,(H,29,31)(H,30,32);4-5,7,9-10H,2-3,6,8,11-14H2,1H3,(H,28,30);2-5,7,9-10H,6,8,11-14H2,1H3,(H,28,30);2-6,8H,9-12H2,1H3,(H,25,27)(H,26,28)/b;;3-2+;
InChIKeySSSDHEPCPUHTGP-QIICRJKOSA-N
MW1803.62 g/mol
LogP13.44
Rot. Bonds33

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide (PubChem CID 160926512) has the molecular formula C91H91Cl4F3N14O14 and a molecular weight of 1803.62 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide
PubChem CID160926512
Molecular FormulaC91H91Cl4F3N14O14
Molecular Weight1803.62 g/mol
Exact Mass1800.55
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccc(C#N)cn1)CC2.COC/C=C/c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COCCCc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc(C#N)cn4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H24ClFN4O3.C23H25ClFN3O4.C23H23ClFN3O4.C21H19ClN4O3/c1-15-11-23(29-21(31)14-33-17-3-4-18(25)19(26)10-17)6-8-24(15,9-7-23)30-22(32)20-5-2-16(12-27)13-28-20;2*1-31-6-2-3-15-9-27-19(10-26-15)20(29)8-22-12-23(13-22,14-22)28-21(30)11-32-16-4-5-17(24)18(25)7-16;1-13-6-15(3-4-16(13)22)29-9-18(27)25-20-10-21(11-20,12-20)26-19(28)17-5-2-14(7-23)8-24-17/h2-5,10,13,15H,6-9,11,14H2,1H3,(H,29,31)(H,30,32);4-5,7,9-10H,2-3,6,8,11-14H2,1H3,(H,28,30);2-5,7,9-10H,6,8,11-14H2,1H3,(H,28,30);2-6,8H,9-12H2,1H3,(H,25,27)(H,26,28)/b;;3-2+;
InChIKeySSSDHEPCPUHTGP-QIICRJKOSA-N
XLogP13.44
TPSA389.04 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001803.62
LogP ≤ 513.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide (CID 160926512) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide is CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1ccc(C#N)cn1)CC2.COC/C=C/c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COCCCc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc(C#N)cn4)(C2)C3)ccc1Cl.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is SSSDHEPCPUHTGP-QIICRJKOSA-N. The full InChI is InChI=1S/C24H24ClFN4O3.C23H25ClFN3O4.C23H23ClFN3O4.C21H19ClN4O3/c1-15-11-23(29-21(31)14-33-17-3-4-18(25)19(26)10-17)6-8-24(15,9-7-23)30-22(32)20-5-2-16(12-27)13-28-20;2*1-31-6-2-3-15-9-27-19(10-26-15)20(29)8-22-12-23(13-22,14-22)28-21(30)11-32-16-4-5-17(24)18(25)7-16;1-13-6-15(3-4-16(13)22)29-9-18(27)25-20-10-21(11-20,12-20)26-19(28)17-5-2-14(7-23)8-24-17/h2-5,10,13,15H,6-9,11,14H2,1H3,(H,29,31)(H,30,32);4-5,7,9-10H,2-3,6,8,11-14H2,1H3,(H,28,30);2-5,7,9-10H,6,8,11-14H2,1H3,(H,28,30);2-6,8H,9-12H2,1H3,(H,25,27)(H,26,28)/b;;3-2+;.
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 1803.62 g/mol, XLogP of 13.44, 33 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-5-cyanopyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-[(E)-3-methoxyprop-1-enyl]pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(3-methoxypropyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 160926512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).