N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C88H93Cl3F6N10O13S — CID 160721531

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(C)c1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(C(F)F)c(F)c4)(C2)C3)cn1.Cc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)oc1C.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4cccnc4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H28ClFN2O4.C22H21F4N3O3.C21H22ClFN2O3S.C21H22ClN3O3/c1-14-10-20(32-16(14)3)22(30)28-23-6-8-24(9-7-23,15(2)12-23)27-21(29)13-31-17-4-5-18(25)19(26)11-17;1-12(23)16-6-28-17(7-27-16)18(30)5-21-9-22(10-21,11-21)29-19(31)8-32-13-2-3-14(20(25)26)15(24)4-13;1-12(2)19-24-7-17(29-19)16(26)6-20-9-21(10-20,11-20)25-18(27)8-28-13-3-4-14(22)15(23)5-13;1-14-9-16(4-5-17(14)22)28-11-18(26)24-20-6-7-21(12-20,13-20)25-19(27)15-3-2-8-23-10-15/h4-5,10-11,15H,6-9,12-13H2,1-3H3,(H,27,29)(H,28,30);2-4,6-7,12,20H,5,8-11H2,1H3,(H,29,31);3-5,7,12H,6,8-11H2,1-2H3,(H,25,27);2-5,8-10H,6-7,11-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyRTDZEKWYNBKMJY-UHFFFAOYSA-N
MW1751.18 g/mol
LogP16.76
Rot. Bonds29

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 160721531) has the molecular formula C88H93Cl3F6N10O13S and a molecular weight of 1751.18 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID160721531
Molecular FormulaC88H93Cl3F6N10O13S
Molecular Weight1751.18 g/mol
Exact Mass1748.56
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(C)c1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(C(F)F)c(F)c4)(C2)C3)cn1.Cc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)oc1C.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4cccnc4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H28ClFN2O4.C22H21F4N3O3.C21H22ClFN2O3S.C21H22ClN3O3/c1-14-10-20(32-16(14)3)22(30)28-23-6-8-24(9-7-23,15(2)12-23)27-21(29)13-31-17-4-5-18(25)19(26)11-17;1-12(23)16-6-28-17(7-27-16)18(30)5-21-9-22(10-21,11-21)29-19(31)8-32-13-2-3-14(20(25)26)15(24)4-13;1-12(2)19-24-7-17(29-19)16(26)6-20-9-21(10-20,11-20)25-18(27)8-28-13-3-4-14(22)15(23)5-13;1-14-9-16(4-5-17(14)22)28-11-18(26)24-20-6-7-21(12-20,13-20)25-19(27)15-3-2-8-23-10-15/h4-5,10-11,15H,6-9,12-13H2,1-3H3,(H,27,29)(H,28,30);2-4,6-7,12,20H,5,8-11H2,1H3,(H,29,31);3-5,7,12H,6,8-11H2,1-2H3,(H,25,27);2-5,8-10H,6-7,11-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyRTDZEKWYNBKMJY-UHFFFAOYSA-N
XLogP16.76
TPSA310.36 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001751.18
LogP ≤ 516.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 160721531) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(C)c1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)COc4ccc(C(F)F)c(F)c4)(C2)C3)cn1.Cc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)oc1C.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4cccnc4)(C2)C3)ccc1Cl.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is RTDZEKWYNBKMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN2O4.C22H21F4N3O3.C21H22ClFN2O3S.C21H22ClN3O3/c1-14-10-20(32-16(14)3)22(30)28-23-6-8-24(9-7-23,15(2)12-23)27-21(29)13-31-17-4-5-18(25)19(26)11-17;1-12(23)16-6-28-17(7-27-16)18(30)5-21-9-22(10-21,11-21)29-19(31)8-32-13-2-3-14(20(25)26)15(24)4-13;1-12(2)19-24-7-17(29-19)16(26)6-20-9-21(10-20,11-20)25-18(27)8-28-13-3-4-14(22)15(23)5-13;1-14-9-16(4-5-17(14)22)28-11-18(26)24-20-6-7-21(12-20,13-20)25-19(27)15-3-2-8-23-10-15/h4-5,10-11,15H,6-9,12-13H2,1-3H3,(H,27,29)(H,28,30);2-4,6-7,12,20H,5,8-11H2,1H3,(H,29,31);3-5,7,12H,6,8-11H2,1-2H3,(H,25,27);2-5,8-10H,6-7,11-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 1751.18 g/mol, XLogP of 16.76, 29 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4,5-dimethylfuran-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-3-carboxamide;2-[4-(difluoromethyl)-3-fluorophenoxy]-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 160721531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).