N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide

C118H109ClF21N11O9 — CID 158894912

IUPACN-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21.COCCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21
InChIInChI=1S/C31H29F6N3O3.C30H27F6N3O2.C29H28ClF3N2O2.C28H25F6N3O2/c1-30(2,34)29(42)39-17-19-13-23(27(28(32)33)38-16-19)26(41)14-18-4-9-24-21(12-18)15-25(40(24)10-11-43-3)20-5-7-22(8-6-20)31(35,36)37;1-4-39-23-9-8-17(10-20(23)14-24(39)19-6-5-7-21(13-19)30(34,35)36)12-25(40)22-11-18(15-37-26(22)27(31)32)16-38-28(41)29(2,3)33;1-28(2,3)27(37)34-15-19-5-11-25(30)24(13-19)26(36)14-18-4-6-20-16-35(17-21(20)12-18)23-9-7-22(8-10-23)29(31,32)33;1-27(2,31)26(39)36-13-17-10-22(24(25(29)30)35-12-17)23(38)11-16-3-4-18-14-37(15-19(18)9-16)21-7-5-20(6-8-21)28(32,33)34/h4-9,12-13,15-16,28H,10-11,14,17H2,1-3H3,(H,39,42);5-11,13-15,27H,4,12,16H2,1-3H3,(H,38,41);4-13H,14-17H2,1-3H3,(H,34,37);3-10,12,25H,11,13-15H2,1-2H3,(H,36,39)
InChIKeyJESGDOIBBBXLLB-UHFFFAOYSA-N
MW2259.65 g/mol
LogP27.88
Rot. Bonds34

About N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide

N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide (PubChem CID 158894912) has the molecular formula C118H109ClF21N11O9 and a molecular weight of 2259.65 g/mol. Its IUPAC name is N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
PubChem CID158894912
Molecular FormulaC118H109ClF21N11O9
Molecular Weight2259.65 g/mol
Exact Mass2257.78
IUPAC NameN-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21.COCCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21
InChIInChI=1S/C31H29F6N3O3.C30H27F6N3O2.C29H28ClF3N2O2.C28H25F6N3O2/c1-30(2,34)29(42)39-17-19-13-23(27(28(32)33)38-16-19)26(41)14-18-4-9-24-21(12-18)15-25(40(24)10-11-43-3)20-5-7-22(8-6-20)31(35,36)37;1-4-39-23-9-8-17(10-20(23)14-24(39)19-6-5-7-21(13-19)30(34,35)36)12-25(40)22-11-18(15-37-26(22)27(31)32)16-38-28(41)29(2,3)33;1-28(2,3)27(37)34-15-19-5-11-25(30)24(13-19)26(36)14-18-4-6-20-16-35(17-21(20)12-18)23-9-7-22(8-10-23)29(31,32)33;1-27(2,31)26(39)36-13-17-10-22(24(25(29)30)35-12-17)23(38)11-16-3-4-18-14-37(15-19(18)9-16)21-7-5-20(6-8-21)28(32,33)34/h4-9,12-13,15-16,28H,10-11,14,17H2,1-3H3,(H,39,42);5-11,13-15,27H,4,12,16H2,1-3H3,(H,38,41);4-13H,14-17H2,1-3H3,(H,34,37);3-10,12,25H,11,13-15H2,1-2H3,(H,36,39)
InChIKeyJESGDOIBBBXLLB-UHFFFAOYSA-N
XLogP27.88
TPSA248.92 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002259.65
LogP ≤ 527.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide with MolForge

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Related Compounds

5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 157125572
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;1-[5-[2-[2-(3-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157130849
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-(1-ethylindol-5-yl)acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
CID 157675599
[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
N-[[5-[2-[2-(2-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157743557
hexakis(carbon dioxide);N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157943756
2-[1-[5-(4-Cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone
CID 158087128
1-[1-[2,4-Dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 158366068
5-[2-[(2R)-5-(3-acetyl-7-ethylindol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(2R)-5-(3-chlorophenyl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 158424225
hexakis(carbon dioxide);N-[(1S)-1-(2-chloro-3-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-pyridin-4-ylethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158727432
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
1-[(3R)-4-[2,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]propan-2-one;1-[(3R)-4-[2-chloro-5-(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]propan-2-one
CID 158826609

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide (CID 158894912) is N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide is CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21.COCCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21.
What is the InChIKey of N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide?
The InChIKey is JESGDOIBBBXLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F6N3O3.C30H27F6N3O2.C29H28ClF3N2O2.C28H25F6N3O2/c1-30(2,34)29(42)39-17-19-13-23(27(28(32)33)38-16-19)26(41)14-18-4-9-24-21(12-18)15-25(40(24)10-11-43-3)20-5-7-22(8-6-20)31(35,36)37;1-4-39-23-9-8-17(10-20(23)14-24(39)19-6-5-7-21(13-19)30(34,35)36)12-25(40)22-11-18(15-37-26(22)27(31)32)16-38-28(41)29(2,3)33;1-28(2,3)27(37)34-15-19-5-11-25(30)24(13-19)26(36)14-18-4-6-20-16-35(17-21(20)12-18)23-9-7-22(8-10-23)29(31,32)33;1-27(2,31)26(39)36-13-17-10-22(24(25(29)30)35-12-17)23(38)11-16-3-4-18-14-37(15-19(18)9-16)21-7-5-20(6-8-21)28(32,33)34/h4-9,12-13,15-16,28H,10-11,14,17H2,1-3H3,(H,39,42);5-11,13-15,27H,4,12,16H2,1-3H3,(H,38,41);4-13H,14-17H2,1-3H3,(H,34,37);3-10,12,25H,11,13-15H2,1-2H3,(H,36,39).
What are the key properties of N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide?
N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide has a molecular weight of 2259.65 g/mol, XLogP of 27.88, 34 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 158894912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).