N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide

C109H106Cl3F17N18O10 — CID 167589998

About N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide (PubChem CID 167589998) has the molecular formula C109H106Cl3F17N18O10 and a molecular weight of 2257.49 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide
• PubChem CID: 167589998
• Molecular Formula: C109H106Cl3F17N18O10
• Molecular Weight: 2257.49 g/mol
• Exact Mass: 2254.71
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide
• SMILES: Cc1ccccc1CN(Cc1cccnc1)CC(F)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(CCCOc1cnc(C(F)(F)F)nc1)Cc1ccccc1Cl.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1cnc(C(F)(F)F)nc1.FC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl
• InChI: InChI=1S/C24H24F4N2O.C23H21ClF4N2O.C22H23F3N4O3.C20H19ClF3N5O3.C20H19ClF3N5O2/c1-18-5-2-3-7-20(18)15-30(14-19-6-4-12-29-13-19)16-22(25)17-31-23-10-8-21(9-11-23)24(26,27)28;24-22-6-2-1-5-18(22)14-30(13-17-4-3-11-29-12-17)15-20(25)16-31-21-9-7-19(8-10-21)23(26,27)28;1-15-16(4-3-9-27-15)11-29(21(31)20-10-26-14-28(20)2)12-18(30)13-32-19-7-5-17(6-8-19)22(23,24)25;1-28-12-25-8-17(28)18(31)29(9-13-4-2-3-5-16(13)21)10-14(30)11-32-15-6-26-19(27-7-15)20(22,23)24;1-28-13-25-11-17(28)18(30)29(12-14-5-2-3-6-16(14)21)7-4-8-31-15-9-26-19(27-10-15)20(22,23)24/h2-13,22H,14-17H2,1H3;1-12,20H,13-16H2;3-10,14,18,30H,11-13H2,1-2H3;2-8,12,14,30H,9-11H2,1H3;2-3,5-6,9-11,13H,4,7-8,12H2,1H3
• InChIKey: IHRJIXGHPIQPLR-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 297.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 42
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.49
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

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]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide (CID 167589998) is N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide is Cc1ccccc1CN(Cc1cccnc1)CC(F)COc1ccc(C(F)(F)F)cc1.Cc1ncccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(CCCOc1cnc(C(F)(F)F)nc1)Cc1ccccc1Cl.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1cnc(C(F)(F)F)nc1.FC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cccnc1)Cc1ccccc1Cl.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide?

The InChIKey is IHRJIXGHPIQPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O.C23H21ClF4N2O.C22H23F3N4O3.C20H19ClF3N5O3.C20H19ClF3N5O2/c1-18-5-2-3-7-20(18)15-30(14-19-6-4-12-29-13-19)16-22(25)17-31-23-10-8-21(9-11-23)24(26,27)28;24-22-6-2-1-5-18(22)14-30(13-17-4-3-11-29-12-17)15-20(25)16-31-21-9-7-19(8-10-21)23(26,27)28;1-15-16(4-3-9-27-15)11-29(21(31)20-10-26-14-28(20)2)12-18(30)13-32-19-7-5-17(6-8-19)22(23,24)25;1-28-12-25-8-17(28)18(31)29(9-13-4-2-3-5-16(13)21)10-14(30)11-32-15-6-26-19(27-7-15)20(22,23)24;1-28-13-25-11-17(28)18(30)29(12-14-5-2-3-6-16(14)21)7-4-8-31-15-9-26-19(27-10-15)20(22,23)24/h2-13,22H,14-17H2,1H3;1-12,20H,13-16H2;3-10,14,18,30H,11-13H2,1-2H3;2-8,12,14,30H,9-11H2,1H3;2-3,5-6,9-11,13H,4,7-8,12H2,1H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide?

N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide has a molecular weight of 2257.49 g/mol, XLogP of 22.18, 42 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;2-fluoro-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 167589998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).