1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone

C134H152F18N16O21 — CID 159533129

IUPAC1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone
SMILESCC(C)CN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCCN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1
InChIInChI=1S/C24H29F3N2O3.C23H27F3N2O3.2C22H24F3N3O4.C22H25F3N2O3.C21H23F3N4O4/c1-17(2)13-29(22-6-4-3-5-21(22)24(25,26)27)19-11-12-28(14-19)23(31)16-32-20-9-7-18(15-30)8-10-20;1-2-12-28(21-6-4-3-5-20(21)23(24,25)26)18-11-13-27(14-18)22(30)16-31-19-9-7-17(15-29)8-10-19;1-2-20(30)28(19-11-26-9-7-18(19)22(23,24)25)16-8-10-27(12-16)21(31)14-32-17-5-3-15(13-29)4-6-17;1-2-19(30)28(21-18(22(23,24)25)4-3-10-26-21)16-9-11-27(12-16)20(31)14-32-17-7-5-15(13-29)6-8-17;1-2-27(20-6-4-3-5-19(20)22(23,24)25)17-11-12-26(13-17)21(29)15-30-18-9-7-16(14-28)8-10-18;1-2-18(30)28(20-17(21(22,23)24)7-9-25-26-20)15-8-10-27(11-15)19(31)13-32-16-5-3-14(12-29)4-6-16/h3-10,17,19,30H,11-16H2,1-2H3;3-10,18,29H,2,11-16H2,1H3;3-7,9,11,16,29H,2,8,10,12-14H2,1H3;3-8,10,16,29H,2,9,11-14H2,1H3;3-10,17,28H,2,11-15H2,1H3;3-7,9,15,29H,2,8,10-13H2,1H3
InChIKeyMDGDUEWCTWPLQT-UHFFFAOYSA-N
MW2664.74 g/mol
LogP20.58
Rot. Bonds44

About 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone

1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone (PubChem CID 159533129) has the molecular formula C134H152F18N16O21 and a molecular weight of 2664.74 g/mol. Its IUPAC name is 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone
PubChem CID159533129
Molecular FormulaC134H152F18N16O21
Molecular Weight2664.74 g/mol
Exact Mass2663.10
IUPAC Name1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone
SMILESCC(C)CN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCCN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1
InChIInChI=1S/C24H29F3N2O3.C23H27F3N2O3.2C22H24F3N3O4.C22H25F3N2O3.C21H23F3N4O4/c1-17(2)13-29(22-6-4-3-5-21(22)24(25,26)27)19-11-12-28(14-19)23(31)16-32-20-9-7-18(15-30)8-10-20;1-2-12-28(21-6-4-3-5-20(21)23(24,25)26)18-11-13-27(14-18)22(30)16-31-19-9-7-17(15-29)8-10-19;1-2-20(30)28(19-11-26-9-7-18(19)22(23,24)25)16-8-10-27(12-16)21(31)14-32-17-5-3-15(13-29)4-6-17;1-2-19(30)28(21-18(22(23,24)25)4-3-10-26-21)16-9-11-27(12-16)20(31)14-32-17-7-5-15(13-29)6-8-17;1-2-27(20-6-4-3-5-19(20)22(23,24)25)17-11-12-26(13-17)21(29)15-30-18-9-7-16(14-28)8-10-18;1-2-18(30)28(20-17(21(22,23)24)7-9-25-26-20)15-8-10-27(11-15)19(31)13-32-16-5-3-14(12-29)4-6-16/h3-10,17,19,30H,11-16H2,1-2H3;3-10,18,29H,2,11-16H2,1H3;3-7,9,11,16,29H,2,8,10,12-14H2,1H3;3-8,10,16,29H,2,9,11-14H2,1H3;3-10,17,28H,2,11-15H2,1H3;3-7,9,15,29H,2,8,10-13H2,1H3
InChIKeyMDGDUEWCTWPLQT-UHFFFAOYSA-N
XLogP20.58
TPSA420.83 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds44
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002664.74
LogP ≤ 520.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(Hydroxymethyl)phenoxy]-1-[3-[methyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[methyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[4-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 157281704
5-[4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-morpholin-4-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-phenylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 157812196
1-[3-[ethyl-[4-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;1-[3-[ethyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 159854451
2-[4-(hydroxymethyl)phenoxy]-1-[(3R)-3-[N-methyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3S)-3-[N-methyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3R)-3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3S)-3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3R)-3-[methyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[(3S)-3-[methyl-[4-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidin-1-yl]ethanone
CID 161734408
N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162207617

Frequently Asked Questions

What is the IUPAC name of 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone (CID 159533129) is 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone is CC(C)CN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1cnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1ncccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCC(=O)N(c1nnccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCCN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.CCN(c1ccccc1C(F)(F)F)C1CCN(C(=O)COc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone?
The InChIKey is MDGDUEWCTWPLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O3.C23H27F3N2O3.2C22H24F3N3O4.C22H25F3N2O3.C21H23F3N4O4/c1-17(2)13-29(22-6-4-3-5-21(22)24(25,26)27)19-11-12-28(14-19)23(31)16-32-20-9-7-18(15-30)8-10-20;1-2-12-28(21-6-4-3-5-20(21)23(24,25)26)18-11-13-27(14-18)22(30)16-31-19-9-7-17(15-29)8-10-19;1-2-20(30)28(19-11-26-9-7-18(19)22(23,24)25)16-8-10-27(12-16)21(31)14-32-17-5-3-15(13-29)4-6-17;1-2-19(30)28(21-18(22(23,24)25)4-3-10-26-21)16-9-11-27(12-16)20(31)14-32-17-7-5-15(13-29)6-8-17;1-2-27(20-6-4-3-5-19(20)22(23,24)25)17-11-12-26(13-17)21(29)15-30-18-9-7-16(14-28)8-10-18;1-2-18(30)28(20-17(21(22,23)24)7-9-25-26-20)15-8-10-27(11-15)19(31)13-32-16-5-3-14(12-29)4-6-16/h3-10,17,19,30H,11-16H2,1-2H3;3-10,18,29H,2,11-16H2,1H3;3-7,9,11,16,29H,2,8,10,12-14H2,1H3;3-8,10,16,29H,2,9,11-14H2,1H3;3-10,17,28H,2,11-15H2,1H3;3-7,9,15,29H,2,8,10-13H2,1H3.
What are the key properties of 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone?
1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone has a molecular weight of 2664.74 g/mol, XLogP of 20.58, 44 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[N-ethyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridazin-3-yl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide;N-[1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]propanamide;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-propyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 159533129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).