[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate

C128H124Cl10F13N11O13 — CID 159714117

About [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate

[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate (PubChem CID 159714117) has the molecular formula C128H124Cl10F13N11O13 and a molecular weight of 2625.97 g/mol. Its IUPAC name is [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate
• PubChem CID: 159714117
• Molecular Formula: C128H124Cl10F13N11O13
• Molecular Weight: 2625.97 g/mol
• Exact Mass: 2619.61
• IUPAC Name: [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate
• SMILES: CC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C.CC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.CCOC(=O)CN1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(C(C)(F)F)cc2cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)[nH]c12.Cc1cc(C(C)(F)F)cc2cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n(C)c12
• InChI: InChI=1S/C27H28Cl2F3N3O3.2C27H25Cl2F3N2O3.C24H24Cl2F2N2O2.C23H22Cl2F2N2O2/c1-4-38-24(36)15-34-7-9-35(10-8-34)26(37)19-5-6-22(28)21(25(19)29)14-18-13-20-16(2)11-17(27(30,31)32)12-23(20)33(18)3;2*1-13-9-16(27(30,31)32)10-21-19(13)11-22(33(21)4)25(36)23-20(28)6-5-18(24(23)29)26(37)34-8-7-17(15(3)35)14(2)12-34;1-14-10-16(24(2,27)28)11-15-12-17(29(3)22(14)15)13-19-20(25)5-4-18(21(19)26)23(31)30-6-8-32-9-7-30;1-13-9-15(23(2,26)27)10-14-11-16(28-21(13)14)12-18-19(24)4-3-17(20(18)25)22(30)29-5-7-31-8-6-29/h5-6,11-13H,4,7-10,14-15H2,1-3H3;2*5-6,9-11,14,17H,7-8,12H2,1-4H3;4-5,10-12H,6-9,13H2,1-3H3;3-4,9-11,28H,5-8,12H2,1-2H3/t;2*14-,17+;;/m.10../s1
• InChIKey: MZFDLWWWZPXBNX-QHVHIHGESA-N
• XLogP: 31.11
• TPSA: 253.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.97
LogP ≤ 5	31.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate?

The IUPAC name of [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate (CID 159714117) is [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate.

What is the SMILES notation for [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate?

The canonical SMILES for [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate is CC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C.CC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.CCOC(=O)CN1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(C(C)(F)F)cc2cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)[nH]c12.Cc1cc(C(C)(F)F)cc2cc(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n(C)c12.

What is the InChIKey of [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate?

The InChIKey is MZFDLWWWZPXBNX-QHVHIHGESA-N. The full InChI is InChI=1S/C27H28Cl2F3N3O3.2C27H25Cl2F3N2O3.C24H24Cl2F2N2O2.C23H22Cl2F2N2O2/c1-4-38-24(36)15-34-7-9-35(10-8-34)26(37)19-5-6-22(28)21(25(19)29)14-18-13-20-16(2)11-17(27(30,31)32)12-23(20)33(18)3;2*1-13-9-16(27(30,31)32)10-21-19(13)11-22(33(21)4)25(36)23-20(28)6-5-18(24(23)29)26(37)34-8-7-17(15(3)35)14(2)12-34;1-14-10-16(24(2,27)28)11-15-12-17(29(3)22(14)15)13-19-20(25)5-4-18(21(19)26)23(31)30-6-8-32-9-7-30;1-13-9-15(23(2,26)27)10-14-11-16(28-21(13)14)12-18-19(24)4-3-17(20(18)25)22(30)29-5-7-31-8-6-29/h5-6,11-13H,4,7-10,14-15H2,1-3H3;2*5-6,9-11,14,17H,7-8,12H2,1-4H3;4-5,10-12H,6-9,13H2,1-3H3;3-4,9-11,28H,5-8,12H2,1-2H3/t;2*14-,17+;;/m.10../s1.

What are the key properties of [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate?

[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate has a molecular weight of 2625.97 g/mol, XLogP of 31.11, 22 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 159714117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).