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

C90H94Cl4F5N13O11 — CID 157491445

IUPAC2-(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
SMILESCC(C)c1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.CC(F)c1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.Cc1cc(OCC(=O)CC23CC(Nc4nccc(-c5ccccc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)N(C)C23CC(N(C)C(=O)c4cnc(C(F)F)cn4)(C2)C3)ccc1Cl
InChIInChI=1S/C25H24ClN3O2.C22H23ClF2N4O3.C22H25ClFN3O3.C21H22ClF2N3O3/c1-17-11-20(7-8-21(17)26)31-13-19(30)12-24-14-25(15-24,16-24)29-23-27-10-9-22(28-23)18-5-3-2-4-6-18;1-13-6-14(4-5-15(13)23)32-9-18(30)28(2)21-10-22(11-21,12-21)29(3)20(31)17-8-26-16(7-27-17)19(24)25;1-13(2)17-7-18(27(3)26-17)19(28)8-21-10-22(11-21,12-21)25-20(29)9-30-14-4-5-15(23)16(24)6-14;1-12(23)16-6-17(27(2)26-16)18(28)7-20-9-21(10-20,11-20)25-19(29)8-30-13-3-4-14(22)15(24)5-13/h2-11H,12-16H2,1H3,(H,27,28,29);4-8,19H,9-12H2,1-3H3;4-7,13H,8-12H2,1-3H3,(H,25,29);3-6,12H,7-11H2,1-2H3,(H,25,29)
InChIKeyBXIBBGUHVCHUAS-UHFFFAOYSA-N
MW1770.62 g/mol
LogP17.10
Rot. Bonds31

About 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

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 (PubChem CID 157491445) has the molecular formula C90H94Cl4F5N13O11 and a molecular weight of 1770.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157491445
Molecular FormulaC90H94Cl4F5N13O11
Molecular Weight1770.62 g/mol
Exact Mass1767.59
IUPAC Name2-(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
SMILESCC(C)c1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.CC(F)c1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.Cc1cc(OCC(=O)CC23CC(Nc4nccc(-c5ccccc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)N(C)C23CC(N(C)C(=O)c4cnc(C(F)F)cn4)(C2)C3)ccc1Cl
InChIInChI=1S/C25H24ClN3O2.C22H23ClF2N4O3.C22H25ClFN3O3.C21H22ClF2N3O3/c1-17-11-20(7-8-21(17)26)31-13-19(30)12-24-14-25(15-24,16-24)29-23-27-10-9-22(28-23)18-5-3-2-4-6-18;1-13-6-14(4-5-15(13)23)32-9-18(30)28(2)21-10-22(11-21,12-21)29(3)20(31)17-8-26-16(7-27-17)19(24)25;1-13(2)17-7-18(27(3)26-17)19(28)8-21-10-22(11-21,12-21)25-20(29)9-30-14-4-5-15(23)16(24)6-14;1-12(23)16-6-17(27(2)26-16)18(28)7-20-9-21(10-20,11-20)25-19(29)8-30-13-3-4-14(22)15(24)5-13/h2-11H,12-16H2,1H3,(H,27,28,29);4-8,19H,9-12H2,1-3H3;4-7,13H,8-12H2,1-3H3,(H,25,29);3-6,12H,7-11H2,1-2H3,(H,25,29)
InChIKeyBXIBBGUHVCHUAS-UHFFFAOYSA-N
XLogP17.10
TPSA286.18 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.62
LogP ≤ 517.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

N-[3-[2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[3-[2-(4-chloro-1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,3-dimethylquinoxalin-6-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,5-a]pyridine-1-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 158159497
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 159637383
1-(4-chloro-3-methylphenoxy)-3-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-cyano-3-fluorobenzamide;5-(difluoromethyl)-N-[2-fluoro-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[2-fluoro-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159936823
N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-5-carboxamide
CID 160384797
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-N-[2-(4-methylphenoxy)ethyl]bicyclo[2.2.2]octane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1-methylimidazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-methylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-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 161604650
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
N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-ethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-difluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
CID 162278599
CID 162282230
CID 162282230
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[1-(1-fluoroethyl)pyrazol-4-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]propan-2-one
CID 162282440
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-ethyl-1,4,2-dioxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3-oxazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-(1,2,4-triazol-1-yl)pyridine-2-carboxamide
CID 162287960
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.CC(F)c1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.Cc1cc(OCC(=O)CC23CC(Nc4nccc(-c5ccccc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)N(C)C23CC(N(C)C(=O)c4cnc(C(F)F)cn4)(C2)C3)ccc1Cl.
What is the InChIKey of 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?
The InChIKey is BXIBBGUHVCHUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2.C22H23ClF2N4O3.C22H25ClFN3O3.C21H22ClF2N3O3/c1-17-11-20(7-8-21(17)26)31-13-19(30)12-24-14-25(15-24,16-24)29-23-27-10-9-22(28-23)18-5-3-2-4-6-18;1-13-6-14(4-5-15(13)23)32-9-18(30)28(2)21-10-22(11-21,12-21)29(3)20(31)17-8-26-16(7-27-17)19(24)25;1-13(2)17-7-18(27(3)26-17)19(28)8-21-10-22(11-21,12-21)25-20(29)9-30-14-4-5-15(23)16(24)6-14;1-12(23)16-6-17(27(2)26-16)18(28)7-20-9-21(10-20,11-20)25-19(29)8-30-13-3-4-14(22)15(24)5-13/h2-11H,12-16H2,1H3,(H,27,28,29);4-8,19H,9-12H2,1-3H3;4-7,13H,8-12H2,1-3H3,(H,25,29);3-6,12H,7-11H2,1-2H3,(H,25,29).
What are the key properties of 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?
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 has a molecular weight of 1770.62 g/mol, XLogP of 17.10, 31 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157491445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).