1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one

C110H108Cl8F12N8O9 — CID 158667685

About 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one

1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one (PubChem CID 158667685) has the molecular formula C110H108Cl8F12N8O9 and a molecular weight of 2197.72 g/mol. Its IUPAC name is 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one.

Molecular Properties

• Compound Name: 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one
• PubChem CID: 158667685
• Molecular Formula: C110H108Cl8F12N8O9
• Molecular Weight: 2197.72 g/mol
• Exact Mass: 2192.56
• IUPAC Name: 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one
• SMILES: CC(=O)C(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C(O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1CC2(C1)CN(C(=O)c1ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c1Cl)C2.CC(=O)CC1CC2(C1)CN(C(=O)c1ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c1Cl)C2
• InChI: InChI=1S/C28H27Cl2F3N2O2.C28H29Cl2F3N2O2.C27H27Cl2F3N2O3.C27H25Cl2F3N2O2/c1-15-6-18(28(31,32)33)8-24-21(15)9-19(34(24)3)10-22-23(29)5-4-20(25(22)30)26(37)35-13-27(14-35)11-17(12-27)7-16(2)36;1-15-11-19(28(31,32)33)12-25-22(15)13-20(34(25)4)14-23-24(29)6-5-21(26(23)30)27(37)35-9-7-18(8-10-35)16(2)17(3)36;1-14-10-17(27(30,31)32)11-23-20(14)12-18(33(23)3)13-21-22(28)5-4-19(24(21)29)26(37)34-8-6-16(7-9-34)25(36)15(2)35;1-14-6-17(27(30,31)32)7-23-20(14)8-18(33(23)3)9-21-22(28)5-4-19(24(21)29)25(36)34-12-26(13-34)10-16(11-26)15(2)35/h4-6,8-9,17H,7,10-14H2,1-3H3;5-6,11-13,16,18H,7-10,14H2,1-4H3;4-5,10-12,16,25,36H,6-9,13H2,1-3H3;4-8,16H,9-13H2,1-3H3
• InChIKey: IDOILNHSSRSGGM-UHFFFAOYSA-N
• XLogP: 27.76
• TPSA: 189.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2197.72
LogP ≤ 5	27.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one?

The IUPAC name of 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one (CID 158667685) is 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one.

What is the SMILES notation for 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one?

The canonical SMILES for 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one is CC(=O)C(C)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C(O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1CC2(C1)CN(C(=O)c1ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c1Cl)C2.CC(=O)CC1CC2(C1)CN(C(=O)c1ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c1Cl)C2.

What is the InChIKey of 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one?

The InChIKey is IDOILNHSSRSGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2F3N2O2.C28H29Cl2F3N2O2.C27H27Cl2F3N2O3.C27H25Cl2F3N2O2/c1-15-6-18(28(31,32)33)8-24-21(15)9-19(34(24)3)10-22-23(29)5-4-20(25(22)30)26(37)35-13-27(14-35)11-17(12-27)7-16(2)36;1-15-11-19(28(31,32)33)12-25-22(15)13-20(34(25)4)14-23-24(29)6-5-21(26(23)30)27(37)35-9-7-18(8-10-35)16(2)17(3)36;1-14-10-17(27(30,31)32)11-23-20(14)12-18(33(23)3)13-21-22(28)5-4-19(24(21)29)26(37)34-8-6-16(7-9-34)25(36)15(2)35;1-14-6-17(27(30,31)32)7-23-20(14)8-18(33(23)3)9-21-22(28)5-4-19(24(21)29)25(36)34-12-26(13-34)10-16(11-26)15(2)35/h4-6,8-9,17H,7,10-14H2,1-3H3;5-6,11-13,16,18H,7-10,14H2,1-4H3;4-5,10-12,16,25,36H,6-9,13H2,1-3H3;4-8,16H,9-13H2,1-3H3.

What are the key properties of 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one?

1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one has a molecular weight of 2197.72 g/mol, XLogP of 27.76, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]ethanone;1-[2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azaspiro[3.3]heptan-6-yl]propan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-1-hydroxypropan-2-one is sourced from PubChem (CID 158667685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).