4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide

C75H82Cl2F9N9O11S — CID 158215650

IUPAC4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cc(C(F)(F)F)ccn1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(S(C)(=O)=O)cn1)CC2.CC1CC2(NC(=O)COc3ccc(F)cc3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C25H26ClF4N3O3.C25H29ClFN3O5S.C25H27F4N3O3/c1-15-12-23(33-21(34)14-36-18-2-3-19(26)20(27)11-18)5-7-24(15,8-6-23)22(35)32-13-17-10-16(4-9-31-17)25(28,29)30;1-16-12-24(30-22(31)15-35-18-4-6-20(26)21(27)11-18)7-9-25(16,10-8-24)23(32)29-13-17-3-5-19(14-28-17)36(2,33)34;1-16-12-23(32-21(33)15-35-20-6-3-18(26)4-7-20)8-10-24(16,11-9-23)22(34)31-14-19-5-2-17(13-30-19)25(27,28)29/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,32,35)(H,33,34);3-6,11,14,16H,7-10,12-13,15H2,1-2H3,(H,29,32)(H,30,31);2-7,13,16H,8-12,14-15H2,1H3,(H,31,34)(H,32,33)
InChIKeyGCPNLFCLTPFWGB-UHFFFAOYSA-N
MW1559.49 g/mol
LogP12.86
Rot. Bonds22

About 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide (PubChem CID 158215650) has the molecular formula C75H82Cl2F9N9O11S and a molecular weight of 1559.49 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
PubChem CID158215650
Molecular FormulaC75H82Cl2F9N9O11S
Molecular Weight1559.49 g/mol
Exact Mass1557.51
IUPAC Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
SMILESCC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cc(C(F)(F)F)ccn1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(S(C)(=O)=O)cn1)CC2.CC1CC2(NC(=O)COc3ccc(F)cc3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C25H26ClF4N3O3.C25H29ClFN3O5S.C25H27F4N3O3/c1-15-12-23(33-21(34)14-36-18-2-3-19(26)20(27)11-18)5-7-24(15,8-6-23)22(35)32-13-17-10-16(4-9-31-17)25(28,29)30;1-16-12-24(30-22(31)15-35-18-4-6-20(26)21(27)11-18)7-9-25(16,10-8-24)23(32)29-13-17-3-5-19(14-28-17)36(2,33)34;1-16-12-23(32-21(33)15-35-20-6-3-18(26)4-7-20)8-10-24(16,11-9-23)22(34)31-14-19-5-2-17(13-30-19)25(27,28)29/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,32,35)(H,33,34);3-6,11,14,16H,7-10,12-13,15H2,1-2H3,(H,29,32)(H,30,31);2-7,13,16H,8-12,14-15H2,1H3,(H,31,34)(H,32,33)
InChIKeyGCPNLFCLTPFWGB-UHFFFAOYSA-N
XLogP12.86
TPSA275.10 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001559.49
LogP ≤ 512.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide with MolForge

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Related Compounds

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[[5-(1-fluoroethoxy)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 157586687
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 160382476
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-hydroxy-2-(methylideneamino)prop-2-enyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;(2R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 162295121
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 158023638
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 158047661
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 158215652
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 158215653
(2R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 162287948
(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 162287949
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylsulfonylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157876488
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 158023634

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide (CID 158215650) is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide is CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1cc(C(F)(F)F)ccn1)CC2.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(S(C)(=O)=O)cn1)CC2.CC1CC2(NC(=O)COc3ccc(F)cc3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cn1)CC2.
What is the InChIKey of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is GCPNLFCLTPFWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF4N3O3.C25H29ClFN3O5S.C25H27F4N3O3/c1-15-12-23(33-21(34)14-36-18-2-3-19(26)20(27)11-18)5-7-24(15,8-6-23)22(35)32-13-17-10-16(4-9-31-17)25(28,29)30;1-16-12-24(30-22(31)15-35-18-4-6-20(26)21(27)11-18)7-9-25(16,10-8-24)23(32)29-13-17-3-5-19(14-28-17)36(2,33)34;1-16-12-23(32-21(33)15-35-20-6-3-18(26)4-7-20)8-10-24(16,11-9-23)22(34)31-14-19-5-2-17(13-30-19)25(27,28)29/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,32,35)(H,33,34);3-6,11,14,16H,7-10,12-13,15H2,1-2H3,(H,29,32)(H,30,31);2-7,13,16H,8-12,14-15H2,1H3,(H,31,34)(H,32,33).
What are the key properties of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide?
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 1559.49 g/mol, XLogP of 12.86, 22 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 158215650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).