N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C109H116Cl6F7N15O16S — CID 160794900

About N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 160794900) has the molecular formula C109H116Cl6F7N15O16S and a molecular weight of 2269.99 g/mol. Its IUPAC name is N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 160794900
• Molecular Formula: C109H116Cl6F7N15O16S
• Molecular Weight: 2269.99 g/mol
• Exact Mass: 2265.65
• IUPAC Name: N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: CC(=O)c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CCCc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)cs1.Cc1nn(C)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1F.Cc1nn(C)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1F.Cc1nn(C)c(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C[C@@H]3C)c1F
• InChI: InChI=1S/C24H29ClFN3O3S.C23H27ClF2N4O3.C22H20ClFN2O4.C20H20Cl2FN3O3.C20H20ClF2N3O3/c1-3-4-21-27-19(14-33-21)22(31)29-23-7-9-24(10-8-23,15(2)12-23)28-20(30)13-32-16-5-6-17(25)18(26)11-16;1-13-11-22(27-18(31)12-33-15-4-5-16(24)17(25)10-15)6-8-23(13,9-7-22)28-21(32)20-19(26)14(2)29-30(20)3;1-13(27)14-4-5-25-18(6-14)19(28)8-21-10-22(11-21,12-21)26-20(29)9-30-15-2-3-16(23)17(24)7-15;2*1-11-17(23)18(26(2)25-11)15(27)6-19-8-20(9-19,10-19)24-16(28)7-29-12-3-4-13(21)14(22)5-12/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,28,30)(H,29,31);4-5,10,13H,6-9,11-12H2,1-3H3,(H,27,31)(H,28,32);2-7H,8-12H2,1H3,(H,26,29);2*3-5H,6-10H2,1-2H3,(H,24,28)/t;13-,22?,23?;;;/m.0.../s1
• InChIKey: SCHUGHUYYDEQLF-GQEJPEROSA-N
• XLogP: 19.56
• TPSA: 397.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2269.99
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 160794900) is N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(=O)c1ccnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.CCCc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)cs1.Cc1nn(C)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1F.Cc1nn(C)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1F.Cc1nn(C)c(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C[C@@H]3C)c1F.

What is the InChIKey of N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is SCHUGHUYYDEQLF-GQEJPEROSA-N. The full InChI is InChI=1S/C24H29ClFN3O3S.C23H27ClF2N4O3.C22H20ClFN2O4.C20H20Cl2FN3O3.C20H20ClF2N3O3/c1-3-4-21-27-19(14-33-21)22(31)29-23-7-9-24(10-8-23,15(2)12-23)28-20(30)13-32-16-5-6-17(25)18(26)11-16;1-13-11-22(27-18(31)12-33-15-4-5-16(24)17(25)10-15)6-8-23(13,9-7-22)28-21(32)20-19(26)14(2)29-30(20)3;1-13(27)14-4-5-25-18(6-14)19(28)8-21-10-22(11-21,12-21)26-20(29)9-30-15-2-3-16(23)17(24)7-15;2*1-11-17(23)18(26(2)25-11)15(27)6-19-8-20(9-19,10-19)24-16(28)7-29-12-3-4-13(21)14(22)5-12/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,28,30)(H,29,31);4-5,10,13H,6-9,11-12H2,1-3H3,(H,27,31)(H,28,32);2-7H,8-12H2,1H3,(H,26,29);2*3-5H,6-10H2,1-2H3,(H,24,28)/t;13-,22?,23?;;;/m.0.../s1.

What are the key properties of N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?

N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2269.99 g/mol, XLogP of 19.56, 36 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(4-acetyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-(4-fluoro-1,3-dimethylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 160794900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).