2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide

C87H85Cl4F4N7O14 — CID 161408300

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide
SMILESCC(F)Oc1cccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.COc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccn1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccnnc4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H22ClF2NO4.C23H23ClFNO3.C21H20ClFN2O4.C20H20ClN3O3/c1-14(25)31-17-4-2-3-15(7-17)20(28)9-22-11-23(12-22,13-22)27-21(29)10-30-16-5-6-18(24)19(26)8-16;1-2-15-3-5-16(6-4-15)20(27)10-22-12-23(13-22,14-22)26-21(28)11-29-17-7-8-18(24)19(25)9-17;1-28-19-6-13(4-5-24-19)17(26)8-20-10-21(11-20,12-20)25-18(27)9-29-14-2-3-15(22)16(23)7-14;1-13-6-16(2-3-17(13)21)27-9-15(25)7-19-10-20(11-19,12-19)24-18(26)14-4-5-22-23-8-14/h2-8,14H,9-13H2,1H3,(H,27,29);3-9H,2,10-14H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,27);2-6,8H,7,9-12H2,1H3,(H,24,26)
InChIKeyVVDGDDPNEOAHOX-UHFFFAOYSA-N
MW1670.48 g/mol
LogP16.30
Rot. Bonds32

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide (PubChem CID 161408300) has the molecular formula C87H85Cl4F4N7O14 and a molecular weight of 1670.48 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide
PubChem CID161408300
Molecular FormulaC87H85Cl4F4N7O14
Molecular Weight1670.48 g/mol
Exact Mass1667.48
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide
SMILESCC(F)Oc1cccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.COc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccn1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccnnc4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H22ClF2NO4.C23H23ClFNO3.C21H20ClFN2O4.C20H20ClN3O3/c1-14(25)31-17-4-2-3-15(7-17)20(28)9-22-11-23(12-22,13-22)27-21(29)10-30-16-5-6-18(24)19(26)8-16;1-2-15-3-5-16(6-4-15)20(27)10-22-12-23(13-22,14-22)26-21(28)11-29-17-7-8-18(24)19(25)9-17;1-28-19-6-13(4-5-24-19)17(26)8-20-10-21(11-20,12-20)25-18(27)9-29-14-2-3-15(22)16(23)7-14;1-13-6-16(2-3-17(13)21)27-9-15(25)7-19-10-20(11-19,12-19)24-18(26)14-4-5-22-23-8-14/h2-8,14H,9-13H2,1H3,(H,27,29);3-9H,2,10-14H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,27);2-6,8H,7,9-12H2,1H3,(H,24,26)
InChIKeyVVDGDDPNEOAHOX-UHFFFAOYSA-N
XLogP16.30
TPSA278.73 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001670.48
LogP ≤ 516.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide with MolForge

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Related Compounds

N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 158128750
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159901074
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3,5-difluorophenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159469496
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158290245
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 161385459
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methylpyridin-1-ium-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[3-[2-(3-ethyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[3-[2-(4-ethyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 161459226
N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide
CID 159961387
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 160807200
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159629571
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-fluoro-6-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158290241
2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-chloro-3-fluorophenoxy)-4-methoxy-2-oxobutyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157445284

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide (CID 161408300) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide is CC(F)Oc1cccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CCc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.COc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)ccn1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccnnc4)(C2)C3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide?
The InChIKey is VVDGDDPNEOAHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2NO4.C23H23ClFNO3.C21H20ClFN2O4.C20H20ClN3O3/c1-14(25)31-17-4-2-3-15(7-17)20(28)9-22-11-23(12-22,13-22)27-21(29)10-30-16-5-6-18(24)19(26)8-16;1-2-15-3-5-16(6-4-15)20(27)10-22-12-23(13-22,14-22)26-21(28)11-29-17-7-8-18(24)19(25)9-17;1-28-19-6-13(4-5-24-19)17(26)8-20-10-21(11-20,12-20)25-18(27)9-29-14-2-3-15(22)16(23)7-14;1-13-6-16(2-3-17(13)21)27-9-15(25)7-19-10-20(11-19,12-19)24-18(26)14-4-5-22-23-8-14/h2-8,14H,9-13H2,1H3,(H,27,29);3-9H,2,10-14H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,27);2-6,8H,7,9-12H2,1H3,(H,24,26).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide has a molecular weight of 1670.48 g/mol, XLogP of 16.30, 32 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide is sourced from PubChem (CID 161408300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).