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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine

C94H91Cl3F9N9O11S — CID 167644626

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine (PubChem CID 167644626) has the molecular formula C94H91Cl3F9N9O11S and a molecular weight of 1834.23 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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine.

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine
• PubChem CID: 167644626
• Molecular Formula: C94H91Cl3F9N9O11S
• Molecular Weight: 1834.23 g/mol
• Exact Mass: 1831.56
• 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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine
• 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.[2H]C([2H])(c1cccnc1)N(CCCOc1ccc(C)cc1)Cc1ccccc1C
• InChI: InChI=1S/C25H22ClF3N2O4.C24H28N2O.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;1-20-10-12-24(13-11-20)27-16-6-15-26(18-22-8-5-14-25-17-22)19-23-9-4-3-7-21(23)2;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;3-5,7-14,17H,6,15-16,18-19H2,1-2H3;2-10,14,21H,11-13H2,1H3;2-3,5-10,13,15H,4,11-12,14H2,1H3/i;18D2
• InChIKey: PRHRCHMAYBTCEJ-VWBVBBDESA-N
• XLogP: 21.02
• TPSA: 210.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 35
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1834.23
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine?

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine (CID 167644626) 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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine.

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine?

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine 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.[2H]C([2H])(c1cccnc1)N(CCCOc1ccc(C)cc1)Cc1ccccc1C.

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine?

The InChIKey is PRHRCHMAYBTCEJ-VWBVBBDESA-N. The full InChI is InChI=1S/C25H22ClF3N2O4.C24H28N2O.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;1-20-10-12-24(13-11-20)27-16-6-15-26(18-22-8-5-14-25-17-22)19-23-9-4-3-7-21(23)2;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;3-5,7-14,17H,6,15-16,18-19H2,1-2H3;2-10,14,21H,11-13H2,1H3;2-3,5-10,13,15H,4,11-12,14H2,1H3/i;18D2;;.

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine?

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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 1834.23 g/mol, XLogP of 21.02, 35 rotatable bonds, 0 hydrogen bond donors, and 18 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;N-[dideuterio(pyridin-3-yl)methyl]-3-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 167644626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).