N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C134H130Cl2F18N14O14S3 — CID 167597319

IUPACN-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1C.Cn1ccnc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cncs1)Cc1ccccc1Cl.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2C1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2C1c1cncs1.[2H]C1(c2cncs2)c2ccccc2CCN1CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H23F3N2O2.C23H24F3N3O3.C22H21ClF3N3O3.2C22H21F3N2O2S.C21H20ClF3N2O2S/c25-24(26,27)19-7-9-21(10-8-19)31-16-20(30)15-29-13-11-17-4-1-2-6-22(17)23(29)18-5-3-12-28-14-18;1-15-5-3-4-6-17(15)12-29(22(31)21-11-27-28-16(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-28-11-10-27-20(28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26;2*23-22(24,25)16-5-7-18(8-6-16)29-13-17(28)12-27-10-9-15-3-1-2-4-19(15)21(27)20-11-26-14-30-20;22-20-4-2-1-3-15(20)10-27(12-19-9-26-14-30-19)11-17(28)13-29-18-7-5-16(6-8-18)21(23,24)25/h1-10,12,14,20,23,30H,11,13,15-16H2;3-11,19,30H,12-14H2,1-2H3,(H,27,28);2-11,17,30H,12-14H2,1H3;2*1-8,11,14,17,21,28H,9-10,12-13H2;1-9,14,17,28H,10-13H2/i;;;21D;;
InChIKeyJGFYPDNZACPOLW-YCDUUCEBSA-N
MW2670.68 g/mol
LogP27.15
Rot. Bonds43

About N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167597319) has the molecular formula C134H130Cl2F18N14O14S3 and a molecular weight of 2670.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167597319
Molecular FormulaC134H130Cl2F18N14O14S3
Molecular Weight2670.68 g/mol
Exact Mass2667.82
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1C.Cn1ccnc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cncs1)Cc1ccccc1Cl.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2C1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2C1c1cncs1.[2H]C1(c2cncs2)c2ccccc2CCN1CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H23F3N2O2.C23H24F3N3O3.C22H21ClF3N3O3.2C22H21F3N2O2S.C21H20ClF3N2O2S/c25-24(26,27)19-7-9-21(10-8-19)31-16-20(30)15-29-13-11-17-4-1-2-6-22(17)23(29)18-5-3-12-28-14-18;1-15-5-3-4-6-17(15)12-29(22(31)21-11-27-28-16(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-28-11-10-27-20(28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26;2*23-22(24,25)16-5-7-18(8-6-16)29-13-17(28)12-27-10-9-15-3-1-2-4-19(15)21(27)20-11-26-14-30-20;22-20-4-2-1-3-15(20)10-27(12-19-9-26-14-30-19)11-17(28)13-29-18-7-5-16(6-8-18)21(23,24)25/h1-10,12,14,20,23,30H,11,13,15-16H2;3-11,19,30H,12-14H2,1-2H3,(H,27,28);2-11,17,30H,12-14H2,1H3;2*1-8,11,14,17,21,28H,9-10,12-13H2;1-9,14,17,28H,10-13H2/i;;;21D;;
InChIKeyJGFYPDNZACPOLW-YCDUUCEBSA-N
XLogP27.15
TPSA328.40 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds43
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002670.68
LogP ≤ 527.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;1-[3-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-one
CID 167534492
1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167574871
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 167593585
1-[(2-chlorophenyl)methyl-[dideuterio(pyridin-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;bis(N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine);N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167618506
N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole
CID 167663257
N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;[1-[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-1-oxo-3-[4-(trifluoromethyl)phenoxy]propan-2-yl] acetate;[1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-[4-(trifluoromethyl)phenoxy]propan-2-yl] acetate;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167677351
1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167684724

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167597319) is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1C.Cn1ccnc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cncs1)Cc1ccccc1Cl.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2C1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2C1c1cncs1.[2H]C1(c2cncs2)c2ccccc2CCN1CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is JGFYPDNZACPOLW-YCDUUCEBSA-N. The full InChI is InChI=1S/C24H23F3N2O2.C23H24F3N3O3.C22H21ClF3N3O3.2C22H21F3N2O2S.C21H20ClF3N2O2S/c25-24(26,27)19-7-9-21(10-8-19)31-16-20(30)15-29-13-11-17-4-1-2-6-22(17)23(29)18-5-3-12-28-14-18;1-15-5-3-4-6-17(15)12-29(22(31)21-11-27-28-16(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-28-11-10-27-20(28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26;2*23-22(24,25)16-5-7-18(8-6-16)29-13-17(28)12-27-10-9-15-3-1-2-4-19(15)21(27)20-11-26-14-30-20;22-20-4-2-1-3-15(20)10-27(12-19-9-26-14-30-19)11-17(28)13-29-18-7-5-16(6-8-18)21(23,24)25/h1-10,12,14,20,23,30H,11,13,15-16H2;3-11,19,30H,12-14H2,1-2H3,(H,27,28);2-11,17,30H,12-14H2,1H3;2*1-8,11,14,17,21,28H,9-10,12-13H2;1-9,14,17,28H,10-13H2/i;;;21D;;.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2670.68 g/mol, XLogP of 27.15, 43 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylimidazole-2-carboxamide;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;1-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167597319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).