1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone

C107H103Cl8F13N8O9 — CID 160637753

IUPAC1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(C)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1(F)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)[C@]12CC[C@H](C1)N(C(=O)c1ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c1Cl)C2.COC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C(C)=O
InChIInChI=1S/C27H27Cl2F3N2O3.C27H25Cl2F3N2O2.C27H27Cl2F3N2O2.C26H24Cl2F4N2O2/c1-14-7-17(27(30,31)32)8-24-20(14)9-18(33(24)3)10-21-23(28)6-5-19(25(21)29)26(36)34-11-16(13-37-4)22(12-34)15(2)35;1-14-8-16(27(30,31)32)9-23-20(14)10-18(33(23)3)11-21-22(28)5-4-19(24(21)29)25(36)34-13-26(15(2)35)7-6-17(34)12-26;1-15-11-17(27(30,31)32)12-23-20(15)13-18(33(23)4)14-21-22(28)6-5-19(24(21)29)25(36)34-9-7-26(3,8-10-34)16(2)35;1-14-10-16(26(30,31)32)11-22-19(14)12-17(33(22)3)13-20-21(27)5-4-18(23(20)28)24(36)34-8-6-25(29,7-9-34)15(2)35/h5-9,16,22H,10-13H2,1-4H3;4-5,8-10,17H,6-7,11-13H2,1-3H3;5-6,11-13H,7-10,14H2,1-4H3;4-5,10-12H,6-9,13H2,1-3H3/t16-,22-;17-,26-;;/m01../s1
InChIKeyRITMPKTXOKDGFA-WAZUNRIVSA-N
MW2175.65 g/mol
LogP27.48
Rot. Bonds18

About 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone

1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone (PubChem CID 160637753) has the molecular formula C107H103Cl8F13N8O9 and a molecular weight of 2175.65 g/mol. Its IUPAC name is 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone
PubChem CID160637753
Molecular FormulaC107H103Cl8F13N8O9
Molecular Weight2175.65 g/mol
Exact Mass2170.51
IUPAC Name1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(C)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1(F)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)[C@]12CC[C@H](C1)N(C(=O)c1ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c1Cl)C2.COC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C(C)=O
InChIInChI=1S/C27H27Cl2F3N2O3.C27H25Cl2F3N2O2.C27H27Cl2F3N2O2.C26H24Cl2F4N2O2/c1-14-7-17(27(30,31)32)8-24-20(14)9-18(33(24)3)10-21-23(28)6-5-19(25(21)29)26(36)34-11-16(13-37-4)22(12-34)15(2)35;1-14-8-16(27(30,31)32)9-23-20(14)10-18(33(23)3)11-21-22(28)5-4-19(24(21)29)25(36)34-13-26(15(2)35)7-6-17(34)12-26;1-15-11-17(27(30,31)32)12-23-20(15)13-18(33(23)4)14-21-22(28)6-5-19(24(21)29)25(36)34-9-7-26(3,8-10-34)16(2)35;1-14-10-16(26(30,31)32)11-22-19(14)12-17(33(22)3)13-20-21(27)5-4-18(23(20)28)24(36)34-8-6-25(29,7-9-34)15(2)35/h5-9,16,22H,10-13H2,1-4H3;4-5,8-10,17H,6-7,11-13H2,1-3H3;5-6,11-13H,7-10,14H2,1-4H3;4-5,10-12H,6-9,13H2,1-3H3/t16-,22-;17-,26-;;/m01../s1
InChIKeyRITMPKTXOKDGFA-WAZUNRIVSA-N
XLogP27.48
TPSA178.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002175.65
LogP ≤ 527.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone with MolForge

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Related Compounds

ethyl (1S,5R)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate;ethyl 2-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]azetidin-3-yl]acetate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-hydroxypiperidine-3-carboxylate;methyl 2-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]acetate
CID 157162559
1-[1-[2,4-Dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]azetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]oxypropan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]ethanone
CID 157450400
1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate
CID 157458129
2-(4-acetylcyclohexyl)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;[2,4-dichloro-3-[(1,4,6-trimethylindol-2-yl)methyl]phenyl]-[(3R,4S)-4-(1-hydroxyethenyl)-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[(1,4,6-trimethylindol-2-yl)methyl]phenyl]-[(3S,4R)-4-(1-hydroxyethenyl)-3-methylpiperidin-1-yl]methanone
CID 157540236
[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-ethyl-4-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-piperidin-1-ylmethanone;1-[2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-6-(1,1-difluoroethyl)-4-methylindol-1-yl]ethanone
CID 157696111
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
Ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate
CID 158491472
(4-Cyclobutylpiperazin-1-yl)-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate
CID 158514314
2-[[2,6-Dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone
CID 158651179
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
(4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]phenyl]methanone;ethyl (1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate;ethyl 2-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]acetate;methyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate
CID 158714514
1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;[3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone
CID 158825907

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone (CID 160637753) is 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone is CC(=O)C1(C)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1(F)CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)[C@]12CC[C@H](C1)N(C(=O)c1ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c1Cl)C2.COC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C(C)=O.
What is the InChIKey of 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone?
The InChIKey is RITMPKTXOKDGFA-WAZUNRIVSA-N. The full InChI is InChI=1S/C27H27Cl2F3N2O3.C27H25Cl2F3N2O2.C27H27Cl2F3N2O2.C26H24Cl2F4N2O2/c1-14-7-17(27(30,31)32)8-24-20(14)9-18(33(24)3)10-21-23(28)6-5-19(25(21)29)26(36)34-11-16(13-37-4)22(12-34)15(2)35;1-14-8-16(27(30,31)32)9-23-20(14)10-18(33(23)3)11-21-22(28)5-4-19(24(21)29)25(36)34-13-26(15(2)35)7-6-17(34)12-26;1-15-11-17(27(30,31)32)12-23-20(15)13-18(33(23)4)14-21-22(28)6-5-19(24(21)29)25(36)34-9-7-26(3,8-10-34)16(2)35;1-14-10-16(26(30,31)32)11-22-19(14)12-17(33(22)3)13-20-21(27)5-4-18(23(20)28)24(36)34-8-6-25(29,7-9-34)15(2)35/h5-9,16,22H,10-13H2,1-4H3;4-5,8-10,17H,6-7,11-13H2,1-3H3;5-6,11-13H,7-10,14H2,1-4H3;4-5,10-12H,6-9,13H2,1-3H3/t16-,22-;17-,26-;;/m01../s1.
What are the key properties of 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone?
1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone has a molecular weight of 2175.65 g/mol, XLogP of 27.48, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4R)-2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-2-azabicyclo[2.2.1]heptan-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-(methoxymethyl)pyrrolidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidin-4-yl]ethanone is sourced from PubChem (CID 160637753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).