(3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol

C137H131F25N8O9 — CID 161380989

IUPAC(3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol
SMILESCCC(O)(c1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)c2ccccc2)cc1)C(F)(F)F.C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(-c2c(F)cccc2F)cc1.C[C@]1(c2ccccc2)CN(C(=O)OCc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.C[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.Cc1cnc(N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)nc1
InChIInChI=1S/C31H27F3N2O.C28H25F6NO3.C27H25F6NO.C26H32F3NO3.C25H22F7N3O/c1-31(24-14-16-25(32)17-15-24)20-36(30(37)35-18-21-6-3-2-4-7-21)19-26(31)22-10-12-23(13-11-22)29-27(33)8-5-9-28(29)34;1-25(21-10-6-3-7-11-21)18-35(24(36)38-17-19-8-4-2-5-9-19)16-23(25)20-12-14-22(15-13-20)26(37,27(29,30)31)28(32,33)34;1-24(21-10-6-3-7-11-21)18-34(16-19-8-4-2-5-9-19)17-23(24)20-12-14-22(15-13-20)25(35,26(28,29)30)27(31,32)33;1-6-25(32,26(27,28)29)20-14-12-18(13-15-20)21-16-30(22(31)33-23(2,3)4)17-24(21,5)19-10-8-7-9-11-19;1-15-11-33-21(34-12-15)35-13-20(22(2,14-35)17-7-9-19(26)10-8-17)16-3-5-18(6-4-16)23(36,24(27,28)29)25(30,31)32/h2-17,26H,18-20H2,1H3,(H,35,37);2-15,23,37H,16-18H2,1H3;2-15,23,35H,16-18H2,1H3;7-15,21,32H,6,16-17H2,1-5H3;3-12,20,36H,13-14H2,1-2H3/t26-,31+;23-,25+;23-,24+;21-,24+,25?;20-,22+/m00010/s1
InChIKeyVRSIRQQICZUGGI-HVHNKLGYSA-N
MW2508.55 g/mol
LogP32.22
Rot. Bonds23

About (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol

(3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol (PubChem CID 161380989) has the molecular formula C137H131F25N8O9 and a molecular weight of 2508.55 g/mol. Its IUPAC name is (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name(3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol
PubChem CID161380989
Molecular FormulaC137H131F25N8O9
Molecular Weight2508.55 g/mol
Exact Mass2506.96
IUPAC Name(3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol
SMILESCCC(O)(c1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)c2ccccc2)cc1)C(F)(F)F.C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(-c2c(F)cccc2F)cc1.C[C@]1(c2ccccc2)CN(C(=O)OCc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.C[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.Cc1cnc(N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)nc1
InChIInChI=1S/C31H27F3N2O.C28H25F6NO3.C27H25F6NO.C26H32F3NO3.C25H22F7N3O/c1-31(24-14-16-25(32)17-15-24)20-36(30(37)35-18-21-6-3-2-4-7-21)19-26(31)22-10-12-23(13-11-22)29-27(33)8-5-9-28(29)34;1-25(21-10-6-3-7-11-21)18-35(24(36)38-17-19-8-4-2-5-9-19)16-23(25)20-12-14-22(15-13-20)26(37,27(29,30)31)28(32,33)34;1-24(21-10-6-3-7-11-21)18-34(16-19-8-4-2-5-9-19)17-23(24)20-12-14-22(15-13-20)25(35,26(28,29)30)27(31,32)33;1-6-25(32,26(27,28)29)20-14-12-18(13-15-20)21-16-30(22(31)33-23(2,3)4)17-24(21,5)19-10-8-7-9-11-19;1-15-11-33-21(34-12-15)35-13-20(22(2,14-35)17-7-9-19(26)10-8-17)16-3-5-18(6-4-16)23(36,24(27,28)29)25(30,31)32/h2-17,26H,18-20H2,1H3,(H,35,37);2-15,23,37H,16-18H2,1H3;2-15,23,35H,16-18H2,1H3;7-15,21,32H,6,16-17H2,1-5H3;3-12,20,36H,13-14H2,1-2H3/t26-,31+;23-,25+;23-,24+;21-,24+,25?;20-,22+/m00010/s1
InChIKeyVRSIRQQICZUGGI-HVHNKLGYSA-N
XLogP32.22
TPSA204.60 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002508.55
LogP ≤ 532.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol with MolForge

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Related Compounds

tert-butyl 4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxylate
CID 134498578
(3R,4R)-N-[(4-ethylsulfonylphenyl)methyl]-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxamide
CID 153313938
1-[(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidin-1-yl]-2-methoxyethanone
CID 153313952
4-[(3S,4S)-3-(4-fluorophenyl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 153313913
2-(4-ethylsulfonylphenyl)-1-[(3R,4R)-3-(4-fluorophenyl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylpyrrolidin-1-yl]ethanone
CID 149393644
[(3S,4S)-3-(4-fluorophenyl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylpyrrolidin-1-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 153313930
tert-butyl (3aS,6aS)-2-benzyl-3a-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 86679686
benzyl 4-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carboxylate
CID 126651869
ethyl (3R,4S)-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-phenylpyrrolidine-1-carboxylate
CID 134506945
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966
tert-butyl 8-[5-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 163401141
tert-butyl (3aS,7aS)-2-benzyl-7a-(trifluoromethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-5-carboxylate
CID 162412399

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol?
The IUPAC name of (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol (CID 161380989) is (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol.
What is the SMILES notation for (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol?
The canonical SMILES for (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol is CCC(O)(c1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)c2ccccc2)cc1)C(F)(F)F.C[C@]1(c2ccc(F)cc2)CN(C(=O)NCc2ccccc2)C[C@H]1c1ccc(-c2c(F)cccc2F)cc1.C[C@]1(c2ccccc2)CN(C(=O)OCc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.C[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.Cc1cnc(N2C[C@@H](c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)[C@@](C)(c3ccc(F)cc3)C2)nc1.
What is the InChIKey of (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol?
The InChIKey is VRSIRQQICZUGGI-HVHNKLGYSA-N. The full InChI is InChI=1S/C31H27F3N2O.C28H25F6NO3.C27H25F6NO.C26H32F3NO3.C25H22F7N3O/c1-31(24-14-16-25(32)17-15-24)20-36(30(37)35-18-21-6-3-2-4-7-21)19-26(31)22-10-12-23(13-11-22)29-27(33)8-5-9-28(29)34;1-25(21-10-6-3-7-11-21)18-35(24(36)38-17-19-8-4-2-5-9-19)16-23(25)20-12-14-22(15-13-20)26(37,27(29,30)31)28(32,33)34;1-24(21-10-6-3-7-11-21)18-34(16-19-8-4-2-5-9-19)17-23(24)20-12-14-22(15-13-20)25(35,26(28,29)30)27(31,32)33;1-6-25(32,26(27,28)29)20-14-12-18(13-15-20)21-16-30(22(31)33-23(2,3)4)17-24(21,5)19-10-8-7-9-11-19;1-15-11-33-21(34-12-15)35-13-20(22(2,14-35)17-7-9-19(26)10-8-17)16-3-5-18(6-4-16)23(36,24(27,28)29)25(30,31)32/h2-17,26H,18-20H2,1H3,(H,35,37);2-15,23,37H,16-18H2,1H3;2-15,23,35H,16-18H2,1H3;7-15,21,32H,6,16-17H2,1-5H3;3-12,20,36H,13-14H2,1-2H3/t26-,31+;23-,25+;23-,24+;21-,24+,25?;20-,22+/m00010/s1.
What are the key properties of (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol?
(3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol has a molecular weight of 2508.55 g/mol, XLogP of 32.22, 23 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-benzyl-4-[4-(2,6-difluorophenyl)phenyl]-3-(4-fluorophenyl)-3-methylpyrrolidine-1-carboxamide;benzyl (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carboxylate;2-[4-[(3S,4S)-1-benzyl-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;tert-butyl (3R,4R)-3-methyl-3-phenyl-4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]pyrrolidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-(4-fluorophenyl)-4-methyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]phenyl]propan-2-ol is sourced from PubChem (CID 161380989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).