[2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone

C104H103Cl8F11N8O12 — CID 159188945

About [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone

[2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone (PubChem CID 159188945) has the molecular formula C104H103Cl8F11N8O12 and a molecular weight of 2149.61 g/mol. Its IUPAC name is [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone
• PubChem CID: 159188945
• Molecular Formula: C104H103Cl8F11N8O12
• Molecular Weight: 2149.61 g/mol
• Exact Mass: 2144.50
• IUPAC Name: [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone
• SMILES: CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)(F)F)cc4n3C)c2Cl)CC1C.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(OC(F)(F)F)cc(C)c34)c2Cl)CC1.CC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C.Cc1cc(OC(C)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C
• InChI: InChI=1S/2C27H27Cl2F3N2O3.C26H25Cl2F3N2O3.C24H24Cl2F2N2O3/c2*1-14-9-18(37-27(30,31)32)12-24-21(14)10-17(33(24)4)11-22-23(28)6-5-20(25(22)29)26(36)34-8-7-19(16(3)35)15(2)13-34;1-14-10-18(36-26(29,30)31)12-22-23(14)17(13-32(22)3)11-20-21(27)5-4-19(24(20)28)25(35)33-8-6-16(7-9-33)15(2)34;1-14-10-16(33-24(2,27)28)13-21-18(14)11-15(29(21)3)12-19-20(25)5-4-17(22(19)26)23(31)30-6-8-32-9-7-30/h2*5-6,9-10,12,15,19H,7-8,11,13H2,1-4H3;4-5,10,12-13,16H,6-9,11H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3/t15-,19+;;;/m0.../s1
• InChIKey: KNVLZHVNTVXWBG-YIIULXDHSA-N
• XLogP: 26.51
• TPSA: 198.32 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.61
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone?

The IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone (CID 159188945) is [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone.

What is the SMILES notation for [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone?

The canonical SMILES for [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone is CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)(F)F)cc4n3C)c2Cl)CC1C.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(OC(F)(F)F)cc(C)c34)c2Cl)CC1.CC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C.Cc1cc(OC(C)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.

What is the InChIKey of [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone?

The InChIKey is KNVLZHVNTVXWBG-YIIULXDHSA-N. The full InChI is InChI=1S/2C27H27Cl2F3N2O3.C26H25Cl2F3N2O3.C24H24Cl2F2N2O3/c2*1-14-9-18(37-27(30,31)32)12-24-21(14)10-17(33(24)4)11-22-23(28)6-5-20(25(22)29)26(36)34-8-7-19(16(3)35)15(2)13-34;1-14-10-18(36-26(29,30)31)12-22-23(14)17(13-32(22)3)11-20-21(27)5-4-19(24(20)28)25(35)33-8-6-16(7-9-33)15(2)34;1-14-10-16(33-24(2,27)28)13-21-18(14)11-15(29(21)3)12-19-20(25)5-4-17(22(19)26)23(31)30-6-8-32-9-7-30/h2*5-6,9-10,12,15,19H,7-8,11,13H2,1-4H3;4-5,10,12-13,16H,6-9,11H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3/t15-,19+;;;/m0.../s1.

What are the key properties of [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone?

[2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone has a molecular weight of 2149.61 g/mol, XLogP of 26.51, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 159188945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).