N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide

C101H100Cl4F8N18O15S — CID 161392623

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide
SMILESCC(F)c1cnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COc1cc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4cnc(C(F)(F)F)s4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)NC23CC(NC(=O)c4cc5ccccc5n4C)(C2)C3)cc1F.Cc1cncc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
InChIInChI=1S/C24H24FN3O3.C20H19ClF3N3O3S.C19H19ClF2N4O2.C19H20ClFN4O4.C19H18ClFN4O3/c1-15-7-8-17(10-18(15)25)31-11-21(29)26-23-12-24(13-23,14-23)27-22(30)20-9-16-5-3-4-6-19(16)28(20)2;1-11-6-12(2-3-13(11)21)30-8-15(28)26-18-4-5-19(9-18,10-18)27-16(29)14-7-25-17(31-14)20(22,23)24;1-11(21)15-5-24-16(6-23-15)25-18-8-19(9-18,10-18)26-17(27)7-28-12-2-3-13(20)14(22)4-12;1-25-14(6-16(24-25)28-2)17(27)23-19-8-18(9-19,10-19)22-15(26)7-29-11-3-4-12(20)13(21)5-11;1-11-5-22-6-15(23-11)17(27)25-19-8-18(9-19,10-19)24-16(26)7-28-12-2-3-13(20)14(21)4-12/h3-10H,11-14H2,1-2H3,(H,26,29)(H,27,30);2-3,6-7H,4-5,8-10H2,1H3,(H,26,28)(H,27,29);2-6,11H,7-10H2,1H3,(H,24,25)(H,26,27);3-6H,7-10H2,1-2H3,(H,22,26)(H,23,27);2-6H,7-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyVTELVDWCEBKAEM-UHFFFAOYSA-N
MW2131.88 g/mol
LogP14.92
Rot. Bonds32

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide (PubChem CID 161392623) has the molecular formula C101H100Cl4F8N18O15S and a molecular weight of 2131.88 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide
PubChem CID161392623
Molecular FormulaC101H100Cl4F8N18O15S
Molecular Weight2131.88 g/mol
Exact Mass2128.60
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide
SMILESCC(F)c1cnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COc1cc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4cnc(C(F)(F)F)s4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)NC23CC(NC(=O)c4cc5ccccc5n4C)(C2)C3)cc1F.Cc1cncc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
InChIInChI=1S/C24H24FN3O3.C20H19ClF3N3O3S.C19H19ClF2N4O2.C19H20ClFN4O4.C19H18ClFN4O3/c1-15-7-8-17(10-18(15)25)31-11-21(29)26-23-12-24(13-23,14-23)27-22(30)20-9-16-5-3-4-6-19(16)28(20)2;1-11-6-12(2-3-13(11)21)30-8-15(28)26-18-4-5-19(9-18,10-18)27-16(29)14-7-25-17(31-14)20(22,23)24;1-11(21)15-5-24-16(6-23-15)25-18-8-19(9-18,10-18)26-17(27)7-28-12-2-3-13(20)14(22)4-12;1-25-14(6-16(24-25)28-2)17(27)23-19-8-18(9-19,10-19)22-15(26)7-29-11-3-4-12(20)13(21)5-11;1-11-5-22-6-15(23-11)17(27)25-19-8-18(9-19,10-19)24-16(26)7-28-12-2-3-13(20)14(21)4-12/h3-10H,11-14H2,1-2H3,(H,26,29)(H,27,30);2-3,6-7H,4-5,8-10H2,1H3,(H,26,28)(H,27,29);2-6,11H,7-10H2,1H3,(H,24,25)(H,26,27);3-6H,7-10H2,1-2H3,(H,22,26)(H,23,27);2-6H,7-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyVTELVDWCEBKAEM-UHFFFAOYSA-N
XLogP14.92
TPSA416.51 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002131.88
LogP ≤ 514.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide with MolForge

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Related Compounds

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-fluorobenzamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrazolo[1,5-a]pyrazine-4-carboxamide
CID 159875459
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-6-(trifluoromethoxy)pyridine-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-1,3-thiazol-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]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide;1-(4-chloro-3-methylphenoxy)-3-[3-([1,2,4]triazolo[1,5-a]pyrazin-8-ylamino)-1-bicyclo[1.1.1]pentanyl]propan-2-one
CID 161946825
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethylpyrazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-(1-fluoroethyl)-1,3-thiazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)-1-bicyclo[1.1.1]pentanyl]propan-2-one;N-[4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 157564309
2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(1-fluoroethyl)-1,3-thiazol-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;1-(4-chloro-3-methylphenoxy)-3-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one
CID 157673156
6-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,5-dimethylpyrazole-4-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(2-methylimidazol-1-yl)benzamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-cyanothiophene-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 158536746
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-fluoro-6-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methoxy-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methylsulfanylmethyl)furan-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 159240774
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylquinoxalin-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-methyl-1,3-thiazol-5-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]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 160705812

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide (CID 161392623) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide is CC(F)c1cnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COc1cc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n(C)n1.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4cnc(C(F)(F)F)s4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)NC23CC(NC(=O)c4cc5ccccc5n4C)(C2)C3)cc1F.Cc1cncc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide?
The InChIKey is VTELVDWCEBKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3.C20H19ClF3N3O3S.C19H19ClF2N4O2.C19H20ClFN4O4.C19H18ClFN4O3/c1-15-7-8-17(10-18(15)25)31-11-21(29)26-23-12-24(13-23,14-23)27-22(30)20-9-16-5-3-4-6-19(16)28(20)2;1-11-6-12(2-3-13(11)21)30-8-15(28)26-18-4-5-19(9-18,10-18)27-16(29)14-7-25-17(31-14)20(22,23)24;1-11(21)15-5-24-16(6-23-15)25-18-8-19(9-18,10-18)26-17(27)7-28-12-2-3-13(20)14(22)4-12;1-25-14(6-16(24-25)28-2)17(27)23-19-8-18(9-19,10-19)22-15(26)7-29-11-3-4-12(20)13(21)5-11;1-11-5-22-6-15(23-11)17(27)25-19-8-18(9-19,10-19)24-16(26)7-28-12-2-3-13(20)14(21)4-12/h3-10H,11-14H2,1-2H3,(H,26,29)(H,27,30);2-3,6-7H,4-5,8-10H2,1H3,(H,26,28)(H,27,29);2-6,11H,7-10H2,1H3,(H,24,25)(H,26,27);3-6H,7-10H2,1-2H3,(H,22,26)(H,23,27);2-6H,7-10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide has a molecular weight of 2131.88 g/mol, XLogP of 14.92, 32 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methoxy-1-methylpyrazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazine-2-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 161392623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).