4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide

C100H112Cl5F7N10O16 — CID 158047659

IUPAC4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide
SMILESC=C(COc1ccc(Cl)c(F)c1)NC12CCC(C(=O)NCc3ccc(Cl)cn3)(CC1)C(O)C2.CC(C)c1coc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)c1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cn1)CC2.Cc1ccc(OCCNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)cc1
InChIInChI=1S/C26H30ClFN2O5.C25H26ClF4N3O3.C25H30ClFN2O5.C24H26Cl2FN3O3/c1-17-2-4-18(5-3-17)34-13-12-29-24(33)26-10-8-25(9-11-26,15-22(26)31)30-23(32)16-35-19-6-7-20(27)21(28)14-19;1-15-11-23(33-21(34)14-36-18-4-5-19(26)20(27)10-18)6-8-24(15,9-7-23)22(35)32-13-17-3-2-16(12-31-17)25(28,29)30;1-15(2)16-9-18(33-13-16)12-28-23(32)25-7-5-24(6-8-25,11-21(25)30)29-22(31)14-34-17-3-4-19(26)20(27)10-17;1-15(14-33-18-4-5-19(26)20(27)10-18)30-23-6-8-24(9-7-23,21(31)11-23)22(32)29-13-17-3-2-16(25)12-28-17/h2-7,14,22,31H,8-13,15-16H2,1H3,(H,29,33)(H,30,32);2-5,10,12,15H,6-9,11,13-14H2,1H3,(H,32,35)(H,33,34);3-4,9-10,13,15,21,30H,5-8,11-12,14H2,1-2H3,(H,28,32)(H,29,31);2-5,10,12,21,30-31H,1,6-9,11,13-14H2,(H,29,32)
InChIKeyFJCJXZVKTYXTIB-UHFFFAOYSA-N
MW2020.30 g/mol
LogP17.05
Rot. Bonds32

About 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide

4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide (PubChem CID 158047659) has the molecular formula C100H112Cl5F7N10O16 and a molecular weight of 2020.30 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide
PubChem CID158047659
Molecular FormulaC100H112Cl5F7N10O16
Molecular Weight2020.30 g/mol
Exact Mass2016.66
IUPAC Name4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide
SMILESC=C(COc1ccc(Cl)c(F)c1)NC12CCC(C(=O)NCc3ccc(Cl)cn3)(CC1)C(O)C2.CC(C)c1coc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)c1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cn1)CC2.Cc1ccc(OCCNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)cc1
InChIInChI=1S/C26H30ClFN2O5.C25H26ClF4N3O3.C25H30ClFN2O5.C24H26Cl2FN3O3/c1-17-2-4-18(5-3-17)34-13-12-29-24(33)26-10-8-25(9-11-26,15-22(26)31)30-23(32)16-35-19-6-7-20(27)21(28)14-19;1-15-11-23(33-21(34)14-36-18-4-5-19(26)20(27)10-18)6-8-24(15,9-7-23)22(35)32-13-17-3-2-16(12-31-17)25(28,29)30;1-15(2)16-9-18(33-13-16)12-28-23(32)25-7-5-24(6-8-25,11-21(25)30)29-22(31)14-34-17-3-4-19(26)20(27)10-17;1-15(14-33-18-4-5-19(26)20(27)10-18)30-23-6-8-24(9-7-23,21(31)11-23)22(32)29-13-17-3-2-16(25)12-28-17/h2-7,14,22,31H,8-13,15-16H2,1H3,(H,29,33)(H,30,32);2-5,10,12,15H,6-9,11,13-14H2,1H3,(H,32,35)(H,33,34);3-4,9-10,13,15,21,30H,5-8,11-12,14H2,1-2H3,(H,28,32)(H,29,31);2-5,10,12,21,30-31H,1,6-9,11,13-14H2,(H,29,32)
InChIKeyFJCJXZVKTYXTIB-UHFFFAOYSA-N
XLogP17.05
TPSA361.49 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002020.30
LogP ≤ 517.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide (CID 158047659) is 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide is C=C(COc1ccc(Cl)c(F)c1)NC12CCC(C(=O)NCc3ccc(Cl)cn3)(CC1)C(O)C2.CC(C)c1coc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)c1.CC1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(C(=O)NCc1ccc(C(F)(F)F)cn1)CC2.Cc1ccc(OCCNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)CC3O)cc1.
What is the InChIKey of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is FJCJXZVKTYXTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN2O5.C25H26ClF4N3O3.C25H30ClFN2O5.C24H26Cl2FN3O3/c1-17-2-4-18(5-3-17)34-13-12-29-24(33)26-10-8-25(9-11-26,15-22(26)31)30-23(32)16-35-19-6-7-20(27)21(28)14-19;1-15-11-23(33-21(34)14-36-18-4-5-19(26)20(27)10-18)6-8-24(15,9-7-23)22(35)32-13-17-3-2-16(12-31-17)25(28,29)30;1-15(2)16-9-18(33-13-16)12-28-23(32)25-7-5-24(6-8-25,11-21(25)30)29-22(31)14-34-17-3-4-19(26)20(27)10-17;1-15(14-33-18-4-5-19(26)20(27)10-18)30-23-6-8-24(9-7-23,21(31)11-23)22(32)29-13-17-3-2-16(25)12-28-17/h2-7,14,22,31H,8-13,15-16H2,1H3,(H,29,33)(H,30,32);2-5,10,12,15H,6-9,11,13-14H2,1H3,(H,32,35)(H,33,34);3-4,9-10,13,15,21,30H,5-8,11-12,14H2,1-2H3,(H,28,32)(H,29,31);2-5,10,12,21,30-31H,1,6-9,11,13-14H2,(H,29,32).
What are the key properties of 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide?
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 2020.30 g/mol, XLogP of 17.05, 32 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[(4-propan-2-ylfuran-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[3-(4-chloro-3-fluorophenoxy)prop-1-en-2-ylamino]-N-[(5-chloro-2-pyridinyl)methyl]-2-hydroxybicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 158047659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).