2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C120H129Cl7F3N13O15 — CID 158769293

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(C)(C)/C=C/c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CC(C)(C)CCc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1.CC(C)(C)CCc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)on1.Cc1nn(C)cc1-c1ccnc(CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
InChIInChI=1S/C26H30Cl2N2O3.C26H30ClFN2O3.C26H28ClFN2O3.C23H23ClFN5O2.C19H18Cl2N2O4/c3*1-24(2,3)8-6-17-7-9-29-21(10-17)22(31)12-25-14-26(15-25,16-25)30-23(32)13-33-18-4-5-19(27)20(28)11-18;1-14-16(9-30(2)29-14)19-5-6-26-20(27-19)8-22-11-23(12-22,13-22)28-21(31)10-32-15-3-4-17(24)18(25)7-15;1-11-4-16(27-23-11)15(24)6-18-8-19(9-18,10-18)22-17(25)7-26-12-2-3-13(20)14(21)5-12/h2*4-5,7,9-11H,6,8,12-16H2,1-3H3,(H,30,32);4-11H,12-16H2,1-3H3,(H,30,32);3-7,9H,8,10-13H2,1-2H3,(H,28,31);2-5H,6-10H2,1H3,(H,22,25)/b;;8-6+;;
InChIKeyIPQWCUNEBDXXCV-RHKBWCPZSA-N
MW2298.59 g/mol
LogP24.84
Rot. Bonds40

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 158769293) has the molecular formula C120H129Cl7F3N13O15 and a molecular weight of 2298.59 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID158769293
Molecular FormulaC120H129Cl7F3N13O15
Molecular Weight2298.59 g/mol
Exact Mass2293.75
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(C)(C)/C=C/c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CC(C)(C)CCc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1.CC(C)(C)CCc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)on1.Cc1nn(C)cc1-c1ccnc(CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
InChIInChI=1S/C26H30Cl2N2O3.C26H30ClFN2O3.C26H28ClFN2O3.C23H23ClFN5O2.C19H18Cl2N2O4/c3*1-24(2,3)8-6-17-7-9-29-21(10-17)22(31)12-25-14-26(15-25,16-25)30-23(32)13-33-18-4-5-19(27)20(28)11-18;1-14-16(9-30(2)29-14)19-5-6-26-20(27-19)8-22-11-23(12-22,13-22)28-21(31)10-32-15-3-4-17(24)18(25)7-15;1-11-4-16(27-23-11)15(24)6-18-8-19(9-18,10-18)22-17(25)7-26-12-2-3-13(20)14(21)5-12/h2*4-5,7,9-11H,6,8,12-16H2,1-3H3,(H,30,32);4-11H,12-16H2,1-3H3,(H,30,32);3-7,9H,8,10-13H2,1-2H3,(H,28,31);2-5H,6-10H2,1H3,(H,22,25)/b;;8-6+;;
InChIKeyIPQWCUNEBDXXCV-RHKBWCPZSA-N
XLogP24.84
TPSA368.23 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds40
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002298.59
LogP ≤ 524.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S)-4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methoxypyrazin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-3-carboxamide;1-(4-chloro-3-methylphenoxy)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;N-[(3S)-4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 161710093
6-[2-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetyl]-N-ethylpyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(5-propyl-2-pyridinyl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide
CID 157137588
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethyl)-1-methylpyrazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-3-propan-2-ylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]-1-bicyclo[1.1.1]pentanyl]-5-(difluoromethyl)-N-methylpyrazine-2-carboxamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one
CID 157491445
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[1-(methoxymethyl)pyrazol-3-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-4-carboxamide
CID 157860201
2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[2-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-3-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide;N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-methylidene-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 157873356
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 158647191
2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide
CID 160997545

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 158769293) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(C)(C)/C=C/c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CC(C)(C)CCc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1.CC(C)(C)CCc1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)on1.Cc1nn(C)cc1-c1ccnc(CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is IPQWCUNEBDXXCV-RHKBWCPZSA-N. The full InChI is InChI=1S/C26H30Cl2N2O3.C26H30ClFN2O3.C26H28ClFN2O3.C23H23ClFN5O2.C19H18Cl2N2O4/c3*1-24(2,3)8-6-17-7-9-29-21(10-17)22(31)12-25-14-26(15-25,16-25)30-23(32)13-33-18-4-5-19(27)20(28)11-18;1-14-16(9-30(2)29-14)19-5-6-26-20(27-19)8-22-11-23(12-22,13-22)28-21(31)10-32-15-3-4-17(24)18(25)7-15;1-11-4-16(27-23-11)15(24)6-18-8-19(9-18,10-18)22-17(25)7-26-12-2-3-13(20)14(21)5-12/h2*4-5,7,9-11H,6,8,12-16H2,1-3H3,(H,30,32);4-11H,12-16H2,1-3H3,(H,30,32);3-7,9H,8,10-13H2,1-2H3,(H,28,31);2-5H,6-10H2,1H3,(H,22,25)/b;;8-6+;;.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2298.59 g/mol, XLogP of 24.84, 40 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-[(E)-3,3-dimethylbut-1-enyl]-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[4-(3,3-dimethylbutyl)-2-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(3-methyl-1,2-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 158769293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).