N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide

C85H81Cl2F9N10O14 — CID 162278599

IUPACN-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
SMILESCC(=O)c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(F)c(F)c4)(C2)C3)cn1.CCc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n[nH]1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(OC(F)(F)F)nc4)(C2)C3)ccc1F
InChIInChI=1S/C22H20ClFN2O4.C22H20F4N2O4.C21H20F3N3O3.C20H21ClFN3O3/c1-13(27)14-4-5-25-18(6-14)19(28)8-21-10-22(11-21,12-21)26-20(29)9-30-15-2-3-16(23)17(24)7-15;1-13-6-16(3-4-17(13)23)31-9-15(29)7-20-10-21(11-20,12-20)28-19(30)14-2-5-18(27-8-14)32-22(24,25)26;1-12(22)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(23)15(24)4-13;1-2-12-5-16(25-24-12)17(26)7-19-9-20(10-19,11-19)23-18(27)8-28-13-3-4-14(21)15(22)6-13/h2-7H,8-12H2,1H3,(H,26,29);2-6,8H,7,9-12H2,1H3,(H,28,30);2-4,6-7,12H,5,8-11H2,1H3,(H,27,29);3-6H,2,7-11H2,1H3,(H,23,27)(H,24,25)
InChIKeySCMJHXCWUQDORB-UHFFFAOYSA-N
MW1708.53 g/mol
LogP14.82
Rot. Bonds32

About N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide

N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide (PubChem CID 162278599) has the molecular formula C85H81Cl2F9N10O14 and a molecular weight of 1708.53 g/mol. Its IUPAC name is N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
PubChem CID162278599
Molecular FormulaC85H81Cl2F9N10O14
Molecular Weight1708.53 g/mol
Exact Mass1706.52
IUPAC NameN-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
SMILESCC(=O)c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(F)c(F)c4)(C2)C3)cn1.CCc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n[nH]1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(OC(F)(F)F)nc4)(C2)C3)ccc1F
InChIInChI=1S/C22H20ClFN2O4.C22H20F4N2O4.C21H20F3N3O3.C20H21ClFN3O3/c1-13(27)14-4-5-25-18(6-14)19(28)8-21-10-22(11-21,12-21)26-20(29)9-30-15-2-3-16(23)17(24)7-15;1-13-6-16(3-4-17(13)23)31-9-15(29)7-20-10-21(11-20,12-20)28-19(30)14-2-5-18(27-8-14)32-22(24,25)26;1-12(22)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(23)15(24)4-13;1-2-12-5-16(25-24-12)17(26)7-19-9-20(10-19,11-19)23-18(27)8-28-13-3-4-14(21)15(22)6-13/h2-7H,8-12H2,1H3,(H,26,29);2-6,8H,7,9-12H2,1H3,(H,28,30);2-4,6-7,12H,5,8-11H2,1H3,(H,27,29);3-6H,2,7-11H2,1H3,(H,23,27)(H,24,25)
InChIKeySCMJHXCWUQDORB-UHFFFAOYSA-N
XLogP14.82
TPSA328.14 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.53
LogP ≤ 514.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide (CID 162278599) is N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide is CC(=O)c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(F)c(F)c4)(C2)C3)cn1.CCc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n[nH]1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(OC(F)(F)F)nc4)(C2)C3)ccc1F.
What is the InChIKey of N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The InChIKey is SCMJHXCWUQDORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4.C22H20F4N2O4.C21H20F3N3O3.C20H21ClFN3O3/c1-13(27)14-4-5-25-18(6-14)19(28)8-21-10-22(11-21,12-21)26-20(29)9-30-15-2-3-16(23)17(24)7-15;1-13-6-16(3-4-17(13)23)31-9-15(29)7-20-10-21(11-20,12-20)28-19(30)14-2-5-18(27-8-14)32-22(24,25)26;1-12(22)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(23)15(24)4-13;1-2-12-5-16(25-24-12)17(26)7-19-9-20(10-19,11-19)23-18(27)8-28-13-3-4-14(21)15(22)6-13/h2-7H,8-12H2,1H3,(H,26,29);2-6,8H,7,9-12H2,1H3,(H,28,30);2-4,6-7,12H,5,8-11H2,1H3,(H,27,29);3-6H,2,7-11H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide has a molecular weight of 1708.53 g/mol, XLogP of 14.82, 32 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 162278599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).