2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one

C110H101Cl3F14N16O8 — CID 160718535

IUPAC2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one
SMILESCC(C)(F)C(=O)CCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4cccc(C(F)(F)F)c4)cc3c2)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)c1.CCn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.CCn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc21
InChIInChI=1S/C28H28Cl2N4O2.C28H23F6N3O2.C27H26ClF2N5O2.C27H24F6N4O2/c1-5-34-24-13-11-20(15-23(24)33-25(34)18-7-9-19(29)10-8-18)32-26(35)21-14-17(6-12-22(21)30)16-31-27(36)28(2,3)4;1-27(2,31)24(39)9-7-17-11-21(25(26(29)30)35-14-17)23(38)12-16-6-8-22-18(10-16)15-37(36-22)20-5-3-4-19(13-20)28(32,33)34;1-4-35-22-10-9-19(12-21(22)34-25(35)17-5-7-18(28)8-6-17)33-27(37)20-11-16(13-31-23(20)24(29)30)14-32-26(36)15(2)3;1-26(2,30)25(39)35-12-15-8-21(22(23(28)29)34-11-15)24(38)36-19-7-6-16-13-37(14-17(16)9-19)20-5-3-4-18(10-20)27(31,32)33/h6-15H,5,16H2,1-4H3,(H,31,36)(H,32,35);3-6,8,10-11,13-15,26H,7,9,12H2,1-2H3;5-13,15,24H,4,14H2,1-3H3,(H,32,36)(H,33,37);3-11,23H,12-14H2,1-2H3,(H,35,39)(H,36,38)
InChIKeyRSUFFXOUNGWSRF-UHFFFAOYSA-N
MW2147.45 g/mol
LogP26.41
Rot. Bonds30

About 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one

2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one (PubChem CID 160718535) has the molecular formula C110H101Cl3F14N16O8 and a molecular weight of 2147.45 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one
PubChem CID160718535
Molecular FormulaC110H101Cl3F14N16O8
Molecular Weight2147.45 g/mol
Exact Mass2144.68
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one
SMILESCC(C)(F)C(=O)CCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4cccc(C(F)(F)F)c4)cc3c2)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)c1.CCn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.CCn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc21
InChIInChI=1S/C28H28Cl2N4O2.C28H23F6N3O2.C27H26ClF2N5O2.C27H24F6N4O2/c1-5-34-24-13-11-20(15-23(24)33-25(34)18-7-9-19(29)10-8-18)32-26(35)21-14-17(6-12-22(21)30)16-31-27(36)28(2,3)4;1-27(2,31)24(39)9-7-17-11-21(25(26(29)30)35-14-17)23(38)12-16-6-8-22-18(10-16)15-37(36-22)20-5-3-4-19(13-20)28(32,33)34;1-4-35-22-10-9-19(12-21(22)34-25(35)17-5-7-18(28)8-6-17)33-27(37)20-11-16(13-31-23(20)24(29)30)14-32-26(36)15(2)3;1-26(2,30)25(39)35-12-15-8-21(22(23(28)29)34-11-15)24(38)36-19-7-6-16-13-37(14-17(16)9-19)20-5-3-4-18(10-20)27(31,32)33/h6-15H,5,16H2,1-4H3,(H,31,36)(H,32,35);3-6,8,10-11,13-15,26H,7,9,12H2,1-2H3;5-13,15,24H,4,14H2,1-3H3,(H,32,36)(H,33,37);3-11,23H,12-14H2,1-2H3,(H,35,39)(H,36,38)
InChIKeyRSUFFXOUNGWSRF-UHFFFAOYSA-N
XLogP26.41
TPSA304.11 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002147.45
LogP ≤ 526.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one with MolForge

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Related Compounds

4-chloro-2-fluoro-5-[4-[2-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-3-phenylquinoxalin-6-yl]pyrimidin-2-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 123459022
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(cyclopropylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indole-3,5-dicarboxamide
CID 157788669
2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-pentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4,4-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide
CID 157952827
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157988375
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158222114
5-[1-(2,3-difluorophenyl)-2-oxo-3H-benzimidazol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 158528583
5-[2-[(1S)-1-[[2-(6-chloro-5-fluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158597748
2-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]ethanone;2-(2-fluoro-5-methylphenyl)-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-1-methylindole-6-carboxamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-5-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 158598684
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 158599705
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159061922
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159083083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one (CID 160718535) is 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one is CC(C)(F)C(=O)CCc1cnc(C(F)F)c(C(=O)Cc2ccc3nn(-c4cccc(C(F)(F)F)c4)cc3c2)c1.CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)c1.CCn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.CCn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc21.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one?
The InChIKey is RSUFFXOUNGWSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O2.C28H23F6N3O2.C27H26ClF2N5O2.C27H24F6N4O2/c1-5-34-24-13-11-20(15-23(24)33-25(34)18-7-9-19(29)10-8-18)32-26(35)21-14-17(6-12-22(21)30)16-31-27(36)28(2,3)4;1-27(2,31)24(39)9-7-17-11-21(25(26(29)30)35-14-17)23(38)12-16-6-8-22-18(10-16)15-37(36-22)20-5-3-4-19(13-20)28(32,33)34;1-4-35-22-10-9-19(12-21(22)34-25(35)17-5-7-18(28)8-6-17)33-27(37)20-11-16(13-31-23(20)24(29)30)14-32-26(36)15(2)3;1-26(2,30)25(39)35-12-15-8-21(22(23(28)29)34-11-15)24(38)36-19-7-6-16-13-37(14-17(16)9-19)20-5-3-4-18(10-20)27(31,32)33/h6-15H,5,16H2,1-4H3,(H,31,36)(H,32,35);3-6,8,10-11,13-15,26H,7,9,12H2,1-2H3;5-13,15,24H,4,14H2,1-3H3,(H,32,36)(H,33,37);3-11,23H,12-14H2,1-2H3,(H,35,39)(H,36,38).
What are the key properties of 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one?
2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one has a molecular weight of 2147.45 g/mol, XLogP of 26.41, 30 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;N-[2-(4-chlorophenyl)-1-ethylbenzimidazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one is sourced from PubChem (CID 160718535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).