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

C110H104Cl6F6N6O19 — CID 158290241

IUPAC2-(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
SMILESCOc1cc(C)ccc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1F.COc1cccc(F)c1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccccc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1
InChIInChI=1S/C23H23ClFNO4.2C22H20ClF2NO4.C22H21ClFNO4.C21H20Cl2N2O3/c1-14-3-5-16(20(7-14)29-2)19(27)9-22-11-23(12-22,13-22)26-21(28)10-30-15-4-6-17(24)18(25)8-15;1-29-19-5-2-13(6-17(19)25)18(27)8-21-10-22(11-21,12-21)26-20(28)9-30-14-3-4-15(23)16(24)7-14;1-29-18-4-2-3-15(24)20(18)17(27)8-21-10-22(11-21,12-21)26-19(28)9-30-13-5-6-14(23)16(25)7-13;1-28-19-5-3-2-4-15(19)18(26)9-21-11-22(12-21,13-21)25-20(27)10-29-14-6-7-16(23)17(24)8-14;1-13-4-5-24-17(6-13)18(26)8-20-10-21(11-20,12-20)25-19(27)9-28-14-2-3-15(22)16(23)7-14/h3-8H,9-13H2,1-2H3,(H,26,28);2*2-7H,8-12H2,1H3,(H,26,28);2-8H,9-13H2,1H3,(H,25,27);2-7H,8-12H2,1H3,(H,25,27)
InChIKeyGLGKSWYDCZMXLN-UHFFFAOYSA-N
MW2140.77 g/mol
LogP21.69
Rot. Bonds39

About 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

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 (PubChem CID 158290241) has the molecular formula C110H104Cl6F6N6O19 and a molecular weight of 2140.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158290241
Molecular FormulaC110H104Cl6F6N6O19
Molecular Weight2140.77 g/mol
Exact Mass2136.54
IUPAC Name2-(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
SMILESCOc1cc(C)ccc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1F.COc1cccc(F)c1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccccc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1
InChIInChI=1S/C23H23ClFNO4.2C22H20ClF2NO4.C22H21ClFNO4.C21H20Cl2N2O3/c1-14-3-5-16(20(7-14)29-2)19(27)9-22-11-23(12-22,13-22)26-21(28)10-30-15-4-6-17(24)18(25)8-15;1-29-19-5-2-13(6-17(19)25)18(27)8-21-10-22(11-21,12-21)26-20(28)9-30-14-3-4-15(23)16(24)7-14;1-29-18-4-2-3-15(24)20(18)17(27)8-21-10-22(11-21,12-21)26-19(28)9-30-13-5-6-14(23)16(25)7-13;1-28-19-5-3-2-4-15(19)18(26)9-21-11-22(12-21,13-21)25-20(27)10-29-14-6-7-16(23)17(24)8-14;1-13-4-5-24-17(6-13)18(26)8-20-10-21(11-20,12-20)25-19(27)9-28-14-2-3-15(22)16(23)7-14/h3-8H,9-13H2,1-2H3,(H,26,28);2*2-7H,8-12H2,1H3,(H,26,28);2-8H,9-13H2,1H3,(H,25,27);2-7H,8-12H2,1H3,(H,25,27)
InChIKeyGLGKSWYDCZMXLN-UHFFFAOYSA-N
XLogP21.69
TPSA326.81 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.77
LogP ≤ 521.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C)ccc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1F.COc1cccc(F)c1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccccc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1.
What is the InChIKey of 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?
The InChIKey is GLGKSWYDCZMXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO4.2C22H20ClF2NO4.C22H21ClFNO4.C21H20Cl2N2O3/c1-14-3-5-16(20(7-14)29-2)19(27)9-22-11-23(12-22,13-22)26-21(28)10-30-15-4-6-17(24)18(25)8-15;1-29-19-5-2-13(6-17(19)25)18(27)8-21-10-22(11-21,12-21)26-20(28)9-30-14-3-4-15(23)16(24)7-14;1-29-18-4-2-3-15(24)20(18)17(27)8-21-10-22(11-21,12-21)26-19(28)9-30-13-5-6-14(23)16(25)7-13;1-28-19-5-3-2-4-15(19)18(26)9-21-11-22(12-21,13-21)25-20(27)10-29-14-6-7-16(23)17(24)8-14;1-13-4-5-24-17(6-13)18(26)8-20-10-21(11-20,12-20)25-19(27)9-28-14-2-3-15(22)16(23)7-14/h3-8H,9-13H2,1-2H3,(H,26,28);2*2-7H,8-12H2,1H3,(H,26,28);2-8H,9-13H2,1H3,(H,25,27);2-7H,8-12H2,1H3,(H,25,27).
What are the key properties of 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?
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 has a molecular weight of 2140.77 g/mol, XLogP of 21.69, 39 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158290241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).