2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide

C82H82Cl4F3N9O14 — CID 160807197

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccncc4F)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccon4)(C2)C3)ccc1Cl.Cn1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccc1=O
InChIInChI=1S/C21H23ClFN3O3.C21H20ClFN2O4.C21H20ClFN2O3.C19H19ClN2O4/c1-13(2)26-6-5-17(25-26)18(27)8-20-10-21(11-20,12-20)24-19(28)9-29-14-3-4-15(22)16(23)7-14;1-25-8-13(2-5-19(25)28)17(26)7-20-10-21(11-20,12-20)24-18(27)9-29-14-3-4-15(22)16(23)6-14;1-13-6-15(2-3-17(13)22)28-9-14(26)7-20-10-21(11-20,12-20)25-19(27)16-4-5-24-8-18(16)23;1-12-6-14(2-3-15(12)20)25-8-13(23)7-18-9-19(10-18,11-18)21-17(24)16-4-5-26-22-16/h3-7,13H,8-12H2,1-2H3,(H,24,28);2-6,8H,7,9-12H2,1H3,(H,24,27);2-6,8H,7,9-12H2,1H3,(H,25,27);2-6H,7-11H2,1H3,(H,21,24)
InChIKeySDVQEZRGCQYIJC-UHFFFAOYSA-N
MW1616.41 g/mol
LogP14.02
Rot. Bonds29

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide (PubChem CID 160807197) has the molecular formula C82H82Cl4F3N9O14 and a molecular weight of 1616.41 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide
PubChem CID160807197
Molecular FormulaC82H82Cl4F3N9O14
Molecular Weight1616.41 g/mol
Exact Mass1613.47
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccncc4F)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccon4)(C2)C3)ccc1Cl.Cn1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccc1=O
InChIInChI=1S/C21H23ClFN3O3.C21H20ClFN2O4.C21H20ClFN2O3.C19H19ClN2O4/c1-13(2)26-6-5-17(25-26)18(27)8-20-10-21(11-20,12-20)24-19(28)9-29-14-3-4-15(22)16(23)7-14;1-25-8-13(2-5-19(25)28)17(26)7-20-10-21(11-20,12-20)24-18(27)9-29-14-3-4-15(22)16(23)6-14;1-13-6-15(2-3-17(13)22)28-9-14(26)7-20-10-21(11-20,12-20)25-19(27)16-4-5-24-8-18(16)23;1-12-6-14(2-3-15(12)20)25-8-13(23)7-18-9-19(10-18,11-18)21-17(24)16-4-5-26-22-16/h3-7,13H,8-12H2,1-2H3,(H,24,28);2-6,8H,7,9-12H2,1H3,(H,24,27);2-6,8H,7,9-12H2,1H3,(H,25,27);2-6H,7-11H2,1H3,(H,21,24)
InChIKeySDVQEZRGCQYIJC-UHFFFAOYSA-N
XLogP14.02
TPSA300.34 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.41
LogP ≤ 514.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-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-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide (CID 160807197) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide is CC(C)n1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccncc4F)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccon4)(C2)C3)ccc1Cl.Cn1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccc1=O.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SDVQEZRGCQYIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O3.C21H20ClFN2O4.C21H20ClFN2O3.C19H19ClN2O4/c1-13(2)26-6-5-17(25-26)18(27)8-20-10-21(11-20,12-20)24-19(28)9-29-14-3-4-15(22)16(23)7-14;1-25-8-13(2-5-19(25)28)17(26)7-20-10-21(11-20,12-20)24-18(27)9-29-14-3-4-15(22)16(23)6-14;1-13-6-15(2-3-17(13)22)28-9-14(26)7-20-10-21(11-20,12-20)25-19(27)16-4-5-24-8-18(16)23;1-12-6-14(2-3-15(12)20)25-8-13(23)7-18-9-19(10-18,11-18)21-17(24)16-4-5-26-22-16/h3-7,13H,8-12H2,1-2H3,(H,24,28);2-6,8H,7,9-12H2,1H3,(H,24,27);2-6,8H,7,9-12H2,1H3,(H,25,27);2-6H,7-11H2,1H3,(H,21,24).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide has a molecular weight of 1616.41 g/mol, XLogP of 14.02, 29 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-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-fluoropyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160807197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).