2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide

C86H86Cl4F2N8O15 — CID 158434437

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1nc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)co1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc(C5CC5)no4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4coc5ccccc45)(C2)C3)ccc1Cl.Cn1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1
InChIInChI=1S/C24H22ClNO4.C22H23ClN2O4.C21H22ClFN2O4.C19H19ClFN3O3/c1-15-8-17(6-7-20(15)25)29-10-16(27)9-23-12-24(13-23,14-23)26-22(28)19-11-30-21-5-3-2-4-18(19)21;1-13-6-16(4-5-17(13)23)28-9-15(26)8-21-10-22(11-21,12-21)24-20(27)19-7-18(25-29-19)14-2-3-14;1-12(2)19-24-16(7-29-19)17(26)6-20-9-21(10-20,11-20)25-18(27)8-28-13-3-4-14(22)15(23)5-13;1-24-7-12(6-22-24)16(25)5-18-9-19(10-18,11-18)23-17(26)8-27-13-2-3-14(20)15(21)4-13/h2-8,11H,9-10,12-14H2,1H3,(H,26,28);4-7,14H,2-3,8-12H2,1H3,(H,24,27);3-5,7,12H,6,8-11H2,1-2H3,(H,25,27);2-4,6-7H,5,8-11H2,1H3,(H,23,26)
InChIKeyHCAYTEFZRLCYIV-UHFFFAOYSA-N
MW1651.48 g/mol
LogP16.47
Rot. Bonds30

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide (PubChem CID 158434437) has the molecular formula C86H86Cl4F2N8O15 and a molecular weight of 1651.48 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
PubChem CID158434437
Molecular FormulaC86H86Cl4F2N8O15
Molecular Weight1651.48 g/mol
Exact Mass1648.49
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1nc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)co1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc(C5CC5)no4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4coc5ccccc45)(C2)C3)ccc1Cl.Cn1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1
InChIInChI=1S/C24H22ClNO4.C22H23ClN2O4.C21H22ClFN2O4.C19H19ClFN3O3/c1-15-8-17(6-7-20(15)25)29-10-16(27)9-23-12-24(13-23,14-23)26-22(28)19-11-30-21-5-3-2-4-18(19)21;1-13-6-16(4-5-17(13)23)28-9-15(26)8-21-10-22(11-21,12-21)24-20(27)19-7-18(25-29-19)14-2-3-14;1-12(2)19-24-16(7-29-19)17(26)6-20-9-21(10-20,11-20)25-18(27)8-28-13-3-4-14(22)15(23)5-13;1-24-7-12(6-22-24)16(25)5-18-9-19(10-18,11-18)23-17(26)8-27-13-2-3-14(20)15(21)4-13/h2-8,11H,9-10,12-14H2,1H3,(H,26,28);4-7,14H,2-3,8-12H2,1H3,(H,24,27);3-5,7,12H,6,8-11H2,1-2H3,(H,25,27);2-4,6-7H,5,8-11H2,1H3,(H,23,26)
InChIKeyHCAYTEFZRLCYIV-UHFFFAOYSA-N
XLogP16.47
TPSA304.62 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001651.48
LogP ≤ 516.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide (CID 158434437) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide is CC(C)c1nc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)co1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cc(C5CC5)no4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4coc5ccccc45)(C2)C3)ccc1Cl.Cn1cc(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-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The InChIKey is HCAYTEFZRLCYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4.C22H23ClN2O4.C21H22ClFN2O4.C19H19ClFN3O3/c1-15-8-17(6-7-20(15)25)29-10-16(27)9-23-12-24(13-23,14-23)26-22(28)19-11-30-21-5-3-2-4-18(19)21;1-13-6-16(4-5-17(13)23)28-9-15(26)8-21-10-22(11-21,12-21)24-20(27)19-7-18(25-29-19)14-2-3-14;1-12(2)19-24-16(7-29-19)17(26)6-20-9-21(10-20,11-20)25-18(27)8-28-13-3-4-14(22)15(23)5-13;1-24-7-12(6-22-24)16(25)5-18-9-19(10-18,11-18)23-17(26)8-27-13-2-3-14(20)15(21)4-13/h2-8,11H,9-10,12-14H2,1H3,(H,26,28);4-7,14H,2-3,8-12H2,1H3,(H,24,27);3-5,7,12H,6,8-11H2,1-2H3,(H,25,27);2-4,6-7H,5,8-11H2,1H3,(H,23,26).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide has a molecular weight of 1651.48 g/mol, XLogP of 16.47, 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-(1-methylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-oxazol-4-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-benzofuran-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 158434437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).