1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one

C104H98Cl8F12N8O8 — CID 158123652

About 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one

1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one (PubChem CID 158123652) has the molecular formula C104H98Cl8F12N8O8 and a molecular weight of 2099.58 g/mol. Its IUPAC name is 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one
• PubChem CID: 158123652
• Molecular Formula: C104H98Cl8F12N8O8
• Molecular Weight: 2099.58 g/mol
• Exact Mass: 2094.48
• IUPAC Name: 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one
• SMILES: CC(=O)C1(C)CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.CC(=O)C1[C@H]2CN(C(=O)c3ccc(Cl)c(Cc4cc5c(C)cc(C(F)(F)F)cc5n4C)c3Cl)C[C@@H]12.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1
• InChI: InChI=1S/C27H27Cl2F3N2O2.C26H23Cl2F3N2O2.C26H25Cl2F3N2O2.C25H23Cl2F3N2O2/c1-15-10-18(27(30,31)32)12-24-21(15)13-19(33(24)3)14-22-23(28)5-4-20(25(22)29)26(36)34-8-6-17(7-9-34)11-16(2)35;1-12-6-14(26(29,30)31)7-22-17(12)8-15(32(22)3)9-18-21(27)5-4-16(24(18)28)25(35)33-10-19-20(11-33)23(19)13(2)34;1-14-8-17(26(29,30)31)10-23-20(14)11-18(32(23)3)12-21-22(27)5-4-19(24(21)28)25(35)33-7-6-16(13-33)9-15(2)34;1-13-7-15(25(28,29)30)8-21-18(13)9-16(31(21)4)10-19-20(26)6-5-17(22(19)27)23(34)32-11-24(3,12-32)14(2)33/h4-5,10,12-13,17H,6-9,11,14H2,1-3H3;4-8,19-20,23H,9-11H2,1-3H3;4-5,8,10-11,16H,6-7,9,12-13H2,1-3H3;5-9H,10-12H2,1-4H3/t;19-,20+,23?
• InChIKey: FRWZRRWJLGGPME-UTCRFWCWSA-N
• XLogP: 26.84
• TPSA: 169.24 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.58
LogP ≤ 5	26.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one?

The IUPAC name of 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one (CID 158123652) is 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one.

What is the SMILES notation for 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one?

The canonical SMILES for 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one is CC(=O)C1(C)CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.CC(=O)C1[C@H]2CN(C(=O)c3ccc(Cl)c(Cc4cc5c(C)cc(C(F)(F)F)cc5n4C)c3Cl)C[C@@H]12.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.

What is the InChIKey of 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one?

The InChIKey is FRWZRRWJLGGPME-UTCRFWCWSA-N. The full InChI is InChI=1S/C27H27Cl2F3N2O2.C26H23Cl2F3N2O2.C26H25Cl2F3N2O2.C25H23Cl2F3N2O2/c1-15-10-18(27(30,31)32)12-24-21(15)13-19(33(24)3)14-22-23(28)5-4-20(25(22)29)26(36)34-8-6-17(7-9-34)11-16(2)35;1-12-6-14(26(29,30)31)7-22-17(12)8-15(32(22)3)9-18-21(27)5-4-16(24(18)28)25(35)33-10-19-20(11-33)23(19)13(2)34;1-14-8-17(26(29,30)31)10-23-20(14)11-18(32(23)3)12-21-22(27)5-4-19(24(21)28)25(35)33-7-6-16(13-33)9-15(2)34;1-13-7-15(25(28,29)30)8-21-18(13)9-16(31(21)4)10-19-20(26)6-5-17(22(19)27)23(34)32-11-24(3,12-32)14(2)33/h4-5,10,12-13,17H,6-9,11,14H2,1-3H3;4-8,19-20,23H,9-11H2,1-3H3;4-5,8,10-11,16H,6-7,9,12-13H2,1-3H3;5-9H,10-12H2,1-4H3/t;19-,20+,23?;;.

What are the key properties of 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one?

1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one has a molecular weight of 2099.58 g/mol, XLogP of 26.84, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one is sourced from PubChem (CID 158123652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).