6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide

C91H89Cl4F3N10O14 — CID 157137588

IUPAC6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide
SMILESCCCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.CCNC(=O)c1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(-c5ccco5)cn4)(C2)C3)ccc1Cl.Cc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1
InChIInChI=1S/C25H23ClN2O4.C23H23ClFN3O4.C23H24ClFN2O3.C20H19ClFN3O3/c1-16-9-19(5-6-20(16)26)32-12-18(29)10-24-13-25(14-24,15-24)28-23(30)21-7-4-17(11-27-21)22-3-2-8-31-22;1-2-26-21(31)14-3-6-18(27-9-14)19(29)8-22-11-23(12-22,13-22)28-20(30)10-32-15-4-5-16(24)17(25)7-15;1-2-3-15-4-7-19(26-10-15)20(28)9-22-12-23(13-22,14-22)27-21(29)11-30-16-5-6-17(24)18(25)8-16;1-12-6-23-18(24-7-12)16(26)5-19-9-20(10-19,11-19)25-17(27)8-28-13-2-3-14(21)15(22)4-13/h2-9,11H,10,12-15H2,1H3,(H,28,30);3-7,9H,2,8,10-13H2,1H3,(H,26,31)(H,28,30);4-8,10H,2-3,9,11-14H2,1H3,(H,27,29);2-4,6-7H,5,8-11H2,1H3,(H,25,27)
InChIKeyAJUOERPNNMRZDB-UHFFFAOYSA-N
MW1745.57 g/mol
LogP16.09
Rot. Bonds33

About 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide

6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide (PubChem CID 157137588) has the molecular formula C91H89Cl4F3N10O14 and a molecular weight of 1745.57 g/mol. Its IUPAC name is 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide
PubChem CID157137588
Molecular FormulaC91H89Cl4F3N10O14
Molecular Weight1745.57 g/mol
Exact Mass1742.53
IUPAC Name6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide
SMILESCCCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.CCNC(=O)c1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(-c5ccco5)cn4)(C2)C3)ccc1Cl.Cc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1
InChIInChI=1S/C25H23ClN2O4.C23H23ClFN3O4.C23H24ClFN2O3.C20H19ClFN3O3/c1-16-9-19(5-6-20(16)26)32-12-18(29)10-24-13-25(14-24,15-24)28-23(30)21-7-4-17(11-27-21)22-3-2-8-31-22;1-2-26-21(31)14-3-6-18(27-9-14)19(29)8-22-11-23(12-22,13-22)28-20(30)10-32-15-4-5-16(24)17(25)7-15;1-2-3-15-4-7-19(26-10-15)20(28)9-22-12-23(13-22,14-22)27-21(29)11-30-16-5-6-17(24)18(25)8-16;1-12-6-23-18(24-7-12)16(26)5-19-9-20(10-19,11-19)25-17(27)8-28-13-2-3-14(21)15(22)4-13/h2-9,11H,10,12-15H2,1H3,(H,28,30);3-7,9H,2,8,10-13H2,1H3,(H,26,31)(H,28,30);4-8,10H,2-3,9,11-14H2,1H3,(H,27,29);2-4,6-7H,5,8-11H2,1H3,(H,25,27)
InChIKeyAJUOERPNNMRZDB-UHFFFAOYSA-N
XLogP16.09
TPSA328.29 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001745.57
LogP ≤ 516.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide (CID 157137588) is 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide is CCCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.CCNC(=O)c1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc(-c5ccco5)cn4)(C2)C3)ccc1Cl.Cc1cnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.
What is the InChIKey of 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide?
The InChIKey is AJUOERPNNMRZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O4.C23H23ClFN3O4.C23H24ClFN2O3.C20H19ClFN3O3/c1-16-9-19(5-6-20(16)26)32-12-18(29)10-24-13-25(14-24,15-24)28-23(30)21-7-4-17(11-27-21)22-3-2-8-31-22;1-2-26-21(31)14-3-6-18(27-9-14)19(29)8-22-11-23(12-22,13-22)28-20(30)10-32-15-4-5-16(24)17(25)7-15;1-2-3-15-4-7-19(26-10-15)20(28)9-22-12-23(13-22,14-22)27-21(29)11-30-16-5-6-17(24)18(25)8-16;1-12-6-23-18(24-7-12)16(26)5-19-9-20(10-19,11-19)25-17(27)8-28-13-2-3-14(21)15(22)4-13/h2-9,11H,10,12-15H2,1H3,(H,28,30);3-7,9H,2,8,10-13H2,1H3,(H,26,31)(H,28,30);4-8,10H,2-3,9,11-14H2,1H3,(H,27,29);2-4,6-7H,5,8-11H2,1H3,(H,25,27).
What are the key properties of 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide?
6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide has a molecular weight of 1745.57 g/mol, XLogP of 16.09, 33 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 157137588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).