[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C₁₀₃H₁₀₂Cl₈F₁₀N₈O₈ — CID 159941072

About [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 159941072) has the molecular formula C₁₀₃H₁₀₂Cl₈F₁₀N₈O₈ and a molecular weight of 2053.60 g/mol. Its IUPAC name is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• PubChem CID: 159941072
• Molecular Formula: C₁₀₃H₁₀₂Cl₈F₁₀N₈O₈
• Molecular Weight: 2053.60 g/mol
• Exact Mass: 2048.52
• IUPAC Name: [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• SMILES: CC(=O)C1[C@H]2CN(C(=O)c3ccc(Cl)c(Cc4cn(C)c5cc(C(F)(F)F)cc(C)c45)c3Cl)C[C@@H]12.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)CC1.Cc1cc(C(C)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2CC(C)C.Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2ccc(C(C)(F)F)cc21
• InChI: InChI=1S/C27H27Cl2F3N2O2.C27H30Cl2F2N2O2.C26H23Cl2F3N2O2.C23H22Cl2F2N2O2/c1-15-10-19(27(30,31)32)13-23-24(15)18(14-33(23)3)12-21-22(28)5-4-20(25(21)29)26(36)34-8-6-17(7-9-34)11-16(2)35;1-16(2)15-33-19(13-21-17(3)11-18(12-24(21)33)27(4,30)31)14-22-23(28)6-5-20(25(22)29)26(34)32-7-9-35-10-8-32;1-12-6-15(26(29,30)31)8-21-22(12)14(9-32(21)3)7-17-20(27)5-4-16(24(17)28)25(35)33-10-18-19(11-33)23(18)13(2)34;1-23(26,27)15-4-3-14-11-16(28(2)20(14)12-15)13-18-19(24)6-5-17(21(18)25)22(30)29-7-9-31-10-8-29/h4-5,10,13-14,17H,6-9,11-12H2,1-3H3;5-6,11-13,16H,7-10,14-15H2,1-4H3;4-6,8-9,18-19,23H,7,10-11H2,1-3H3;3-6,11-12H,7-10,13H2,1-2H3/t;;18-,19+,23?
• InChIKey: OAWSQHJCDKFMNT-YAWXMMDHSA-N
• XLogP: 26.29
• TPSA: 153.56 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2053.60
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 159941072) is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

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

The canonical SMILES for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is CC(=O)C1[C@H]2CN(C(=O)c3ccc(Cl)c(Cc4cn(C)c5cc(C(F)(F)F)cc(C)c45)c3Cl)C[C@@H]12.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)CC1.Cc1cc(C(C)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2CC(C)C.Cn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2ccc(C(C)(F)F)cc21.

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

The InChIKey is OAWSQHJCDKFMNT-YAWXMMDHSA-N. The full InChI is InChI=1S/C27H27Cl2F3N2O2.C27H30Cl2F2N2O2.C26H23Cl2F3N2O2.C23H22Cl2F2N2O2/c1-15-10-19(27(30,31)32)13-23-24(15)18(14-33(23)3)12-21-22(28)5-4-20(25(21)29)26(36)34-8-6-17(7-9-34)11-16(2)35;1-16(2)15-33-19(13-21-17(3)11-18(12-24(21)33)27(4,30)31)14-22-23(28)6-5-20(25(22)29)26(34)32-7-9-35-10-8-32;1-12-6-15(26(29,30)31)8-21-22(12)14(9-32(21)3)7-17-20(27)5-4-16(24(17)28)25(35)33-10-18-19(11-33)23(18)13(2)34;1-23(26,27)15-4-3-14-11-16(28(2)20(14)12-15)13-18-19(24)6-5-17(21(18)25)22(30)29-7-9-31-10-8-29/h4-5,10,13-14,17H,6-9,11-12H2,1-3H3;5-6,11-13,16H,7-10,14-15H2,1-4H3;4-6,8-9,18-19,23H,7,10-11H2,1-3H3;3-6,11-12H,7-10,13H2,1-2H3/t;;18-,19+,23?;.

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

[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 2053.60 g/mol, XLogP of 26.29, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-4-methyl-1-(2-methylpropyl)indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 159941072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159941072 — identifiers, structure, computed properties (public domain)

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