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

C118H107Cl3F15N11O14S — CID 167677351

About 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

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 (PubChem CID 167677351) has the molecular formula C118H107Cl3F15N11O14S and a molecular weight of 2326.61 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167677351
• Molecular Formula: C118H107Cl3F15N11O14S
• Molecular Weight: 2326.61 g/mol
• Exact Mass: 2323.65
• IUPAC Name: 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
• SMILES: CC(=O)OC(COc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1cccnc1)Cc1ccccc1Cl.CC(=O)OC(COc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1cncs1)Cc1ccccc1Cl.Cn1cncc1C(=O)N(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C=C1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@@H]1c1cccnc1
• InChI: InChI=1S/C25H22ClF3N2O4.C24H23F3N2O2.C24H21F3N2O2.C23H20ClF3N2O4S.C22H21ClF3N3O2/c1-17(32)35-23(16-34-21-10-8-20(9-11-21)25(27,28)29)24(33)31(14-18-5-4-12-30-13-18)15-19-6-2-3-7-22(19)26;2*25-24(26,27)20-7-9-22(10-8-20)31-16-21(30)15-29-14-19-5-2-1-4-17(19)12-23(29)18-6-3-11-28-13-18;1-15(30)33-21(13-32-18-8-6-17(7-9-18)23(25,26)27)22(31)29(12-19-10-28-14-34-19)11-16-4-2-3-5-20(16)24;1-28-15-27-13-20(28)21(30)29(14-16-5-2-3-6-19(16)23)11-4-12-31-18-9-7-17(8-10-18)22(24,25)26/h2-13,23H,14-16H2,1H3;1-11,13,21,23,30H,12,14-16H2;1-13,21,30H,14-16H2;2-10,14,21H,11-13H2,1H3;2-3,5-10,13,15H,4,11-12,14H2,1H3/t;21?,23-;;;/m.1.../s1
• InChIKey: UZZQBEKKFKFYKS-RFTHMSHCSA-N
• XLogP: 25.35
• TPSA: 276.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2326.61
LogP ≤ 5	25.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)OC(COc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1cccnc1)Cc1ccccc1Cl.CC(=O)OC(COc1ccc(C(F)(F)F)cc1)C(=O)N(Cc1cncs1)Cc1ccccc1Cl.Cn1cncc1C(=O)N(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C=C1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@@H]1c1cccnc1.

What is the InChIKey of 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?

The InChIKey is UZZQBEKKFKFYKS-RFTHMSHCSA-N. The full InChI is InChI=1S/C25H22ClF3N2O4.C24H23F3N2O2.C24H21F3N2O2.C23H20ClF3N2O4S.C22H21ClF3N3O2/c1-17(32)35-23(16-34-21-10-8-20(9-11-21)25(27,28)29)24(33)31(14-18-5-4-12-30-13-18)15-19-6-2-3-7-22(19)26;2*25-24(26,27)20-7-9-22(10-8-20)31-16-21(30)15-29-14-19-5-2-1-4-17(19)12-23(29)18-6-3-11-28-13-18;1-15(30)33-21(13-32-18-8-6-17(7-9-18)23(25,26)27)22(31)29(12-19-10-28-14-34-19)11-16-4-2-3-5-20(16)24;1-28-15-27-13-20(28)21(30)29(14-16-5-2-3-6-19(16)23)11-4-12-31-18-9-7-17(8-10-18)22(24,25)26/h2-13,23H,14-16H2,1H3;1-11,13,21,23,30H,12,14-16H2;1-13,21,30H,14-16H2;2-10,14,21H,11-13H2,1H3;2-3,5-10,13,15H,4,11-12,14H2,1H3/t;21?,23-;;;/m.1.../s1.

What are the key properties of 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?

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 has a molecular weight of 2326.61 g/mol, XLogP of 25.35, 38 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167677351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).