3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one

C179H178Cl12F6N12O26 — CID 158672001

IUPAC3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one
SMILESCc1cc(OCC(=O)CC23CC(C(=O)CCCc4cccnc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4c(Cl)cccc4Cl)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(Cl)c(Cl)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4cnccn4)(C2)C3)ccc1Cl.Cc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccncc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1occc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3OC(F)F)(C1)C2
InChIInChI=1S/2C24H23Cl3O3.C24H26ClNO3.C22H20ClF3N2O4.C22H22ClFN2O3.C22H23ClN2O3.C21H21ClFN3O3.C20H20ClFN2O4/c1-15-8-18(4-6-19(15)25)30-11-17(28)10-23-12-24(13-23,14-23)22(29)7-3-16-2-5-20(26)21(27)9-16;1-15-9-17(5-7-19(15)25)30-11-16(28)10-23-12-24(13-23,14-23)22(29)8-6-18-20(26)3-2-4-21(18)27;1-17-10-20(7-8-21(17)25)29-13-19(27)11-23-14-24(15-23,16-23)22(28)6-2-4-18-5-3-9-26-12-18;23-15-6-5-14(7-16(15)24)31-9-18(29)28-22-10-21(11-22,12-22)19(30)27-8-13-3-1-2-4-17(13)32-20(25)26;1-14-3-2-4-15(7-14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-5-6-17(23)18(24)8-16;1-15-8-18(3-4-19(15)23)28-11-17(26)9-21-12-22(13-21,14-21)20(27)5-2-16-10-24-6-7-25-16;1-13-4-5-24-7-14(13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-2-3-16(22)17(23)6-15;1-12-13(4-5-27-12)7-23-18(26)19-9-20(10-19,11-19)24-17(25)8-28-14-2-3-15(21)16(22)6-14/h2,4-6,8-9H,3,7,10-14H2,1H3;2-5,7,9H,6,8,10-14H2,1H3;3,5,7-10,12H,2,4,6,11,13-16H2,1H3;1-7,20H,8-12H2,(H,27,30)(H,28,29);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);3-4,6-8,10H,2,5,9,11-14H2,1H3;2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-6H,7-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyIEBHLOBEOLCJKV-UHFFFAOYSA-N
MW3452.87 g/mol
LogP35.99
Rot. Bonds67

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one (PubChem CID 158672001) has the molecular formula C179H178Cl12F6N12O26 and a molecular weight of 3452.87 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one
PubChem CID158672001
Molecular FormulaC179H178Cl12F6N12O26
Molecular Weight3452.87 g/mol
Exact Mass3444.91
IUPAC Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one
SMILESCc1cc(OCC(=O)CC23CC(C(=O)CCCc4cccnc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4c(Cl)cccc4Cl)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(Cl)c(Cl)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4cnccn4)(C2)C3)ccc1Cl.Cc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccncc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1occc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3OC(F)F)(C1)C2
InChIInChI=1S/2C24H23Cl3O3.C24H26ClNO3.C22H20ClF3N2O4.C22H22ClFN2O3.C22H23ClN2O3.C21H21ClFN3O3.C20H20ClFN2O4/c1-15-8-18(4-6-19(15)25)30-11-17(28)10-23-12-24(13-23,14-23)22(29)7-3-16-2-5-20(26)21(27)9-16;1-15-9-17(5-7-19(15)25)30-11-16(28)10-23-12-24(13-23,14-23)22(29)8-6-18-20(26)3-2-4-21(18)27;1-17-10-20(7-8-21(17)25)29-13-19(27)11-23-14-24(15-23,16-23)22(28)6-2-4-18-5-3-9-26-12-18;23-15-6-5-14(7-16(15)24)31-9-18(29)28-22-10-21(11-22,12-22)19(30)27-8-13-3-1-2-4-17(13)32-20(25)26;1-14-3-2-4-15(7-14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-5-6-17(23)18(24)8-16;1-15-8-18(3-4-19(15)23)28-11-17(26)9-21-12-22(13-21,14-21)20(27)5-2-16-10-24-6-7-25-16;1-13-4-5-24-7-14(13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-2-3-16(22)17(23)6-15;1-12-13(4-5-27-12)7-23-18(26)19-9-20(10-19,11-19)24-17(25)8-28-14-2-3-15(21)16(22)6-14/h2,4-6,8-9H,3,7,10-14H2,1H3;2-5,7,9H,6,8,10-14H2,1H3;3,5,7-10,12H,2,4,6,11,13-16H2,1H3;1-7,20H,8-12H2,(H,27,30)(H,28,29);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);3-4,6-8,10H,2,5,9,11-14H2,1H3;2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-6H,7-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyIEBHLOBEOLCJKV-UHFFFAOYSA-N
XLogP35.99
TPSA517.13 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds67
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003452.87
LogP ≤ 535.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[6-(methoxymethyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methoxy-2-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]pyrazine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 157691069
N-[3-[2-[4-[(E)-but-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;4-chloro-N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]benzamide;2-(4-chlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158330423
CID 158810177
CID 158810177
5-chloro-N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;4-chloro-N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methylbenzamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2,6-dimethylpyridine-3-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2,6-dimethylpyridine-3-carboxamide
CID 161148392
N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(2,6-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyrazin-2-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 162166117

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one (CID 158672001) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one is Cc1cc(OCC(=O)CC23CC(C(=O)CCCc4cccnc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4c(Cl)cccc4Cl)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4ccc(Cl)c(Cl)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(C(=O)CCc4cnccn4)(C2)C3)ccc1Cl.Cc1cccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1ccncc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1occc1CNC(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3OC(F)F)(C1)C2.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one?
The InChIKey is IEBHLOBEOLCJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23Cl3O3.C24H26ClNO3.C22H20ClF3N2O4.C22H22ClFN2O3.C22H23ClN2O3.C21H21ClFN3O3.C20H20ClFN2O4/c1-15-8-18(4-6-19(15)25)30-11-17(28)10-23-12-24(13-23,14-23)22(29)7-3-16-2-5-20(26)21(27)9-16;1-15-9-17(5-7-19(15)25)30-11-16(28)10-23-12-24(13-23,14-23)22(29)8-6-18-20(26)3-2-4-21(18)27;1-17-10-20(7-8-21(17)25)29-13-19(27)11-23-14-24(15-23,16-23)22(28)6-2-4-18-5-3-9-26-12-18;23-15-6-5-14(7-16(15)24)31-9-18(29)28-22-10-21(11-22,12-22)19(30)27-8-13-3-1-2-4-17(13)32-20(25)26;1-14-3-2-4-15(7-14)9-25-20(28)21-11-22(12-21,13-21)26-19(27)10-29-16-5-6-17(23)18(24)8-16;1-15-8-18(3-4-19(15)23)28-11-17(26)9-21-12-22(13-21,14-21)20(27)5-2-16-10-24-6-7-25-16;1-13-4-5-24-7-14(13)8-25-19(28)20-10-21(11-20,12-20)26-18(27)9-29-15-2-3-16(22)17(23)6-15;1-12-13(4-5-27-12)7-23-18(26)19-9-20(10-19,11-19)24-17(25)8-28-14-2-3-15(21)16(22)6-14/h2,4-6,8-9H,3,7,10-14H2,1H3;2-5,7,9H,6,8,10-14H2,1H3;3,5,7-10,12H,2,4,6,11,13-16H2,1H3;1-7,20H,8-12H2,(H,27,30)(H,28,29);2-8H,9-13H2,1H3,(H,25,28)(H,26,27);3-4,6-8,10H,2,5,9,11-14H2,1H3;2-7H,8-12H2,1H3,(H,25,28)(H,26,27);2-6H,7-11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one?
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one has a molecular weight of 3452.87 g/mol, XLogP of 35.99, 67 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylfuran-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(3,4-dichlorophenyl)propan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrazin-2-ylpropan-1-one;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 158672001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).