N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide

C137H132F2N20O12 — CID 160879973

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide (PubChem CID 160879973) has the molecular formula C137H132F2N20O12 and a molecular weight of 2288.69 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide
• PubChem CID: 160879973
• Molecular Formula: C137H132F2N20O12
• Molecular Weight: 2288.69 g/mol
• Exact Mass: 2287.03
• IUPAC Name: N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide
• SMILES: Cc1nc(C2(c3ccc(C(=O)Oc4cc(-c5ccc(F)cc5)ccc4N)cc3)CCOCC2)n[nH]1.Cc1nc(C2(c3ccc(C(=O)Oc4ccccc4N)cc3)CCOCC2)n[nH]1.Cn1cc(-c2ccccc2)nc1C1(c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)cc2)CCOCC1.Cn1cc(-c2ccccc2)nc1C1(c2ccc(C(=O)Nc3ccccc3N)cc2)CCOCC1.Nc1ccccc1NC(=O)c1ccc(C2(c3ncc(-c4ccccc4)[nH]3)CCOCC2)cc1
• InChI: InChI=1S/C34H31FN4O2.C28H28N4O2.C27H25FN4O3.C27H26N4O2.C21H22N4O3/c1-39-22-31(24-5-3-2-4-6-24)38-33(39)34(17-19-41-20-18-34)27-12-7-25(8-13-27)32(40)37-30-21-26(11-16-29(30)36)23-9-14-28(35)15-10-23;1-32-19-25(20-7-3-2-4-8-20)31-27(32)28(15-17-34-18-16-28)22-13-11-21(12-14-22)26(33)30-24-10-6-5-9-23(24)29;1-17-30-26(32-31-17)27(12-14-34-15-13-27)21-7-2-19(3-8-21)25(33)35-24-16-20(6-11-23(24)29)18-4-9-22(28)10-5-18;28-22-8-4-5-9-23(22)30-25(32)20-10-12-21(13-11-20)27(14-16-33-17-15-27)26-29-18-24(31-26)19-6-2-1-3-7-19;1-14-23-20(25-24-14)21(10-12-27-13-11-21)16-8-6-15(7-9-16)19(26)28-18-5-3-2-4-17(18)22/h2-16,21-22H,17-20,36H2,1H3,(H,37,40);2-14,19H,15-18,29H2,1H3,(H,30,33);2-11,16H,12-15,29H2,1H3,(H,30,31,32);1-13,18H,14-17,28H2,(H,29,31)(H,30,32);2-9H,10-13,22H2,1H3,(H,23,24,25)
• InChIKey: SMXCZGCPMGQLHT-UHFFFAOYSA-N
• XLogP: 24.68
• TPSA: 463.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.69
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide?

The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide (CID 160879973) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide.

What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide?

The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide is Cc1nc(C2(c3ccc(C(=O)Oc4cc(-c5ccc(F)cc5)ccc4N)cc3)CCOCC2)n[nH]1.Cc1nc(C2(c3ccc(C(=O)Oc4ccccc4N)cc3)CCOCC2)n[nH]1.Cn1cc(-c2ccccc2)nc1C1(c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)cc2)CCOCC1.Cn1cc(-c2ccccc2)nc1C1(c2ccc(C(=O)Nc3ccccc3N)cc2)CCOCC1.Nc1ccccc1NC(=O)c1ccc(C2(c3ncc(-c4ccccc4)[nH]3)CCOCC2)cc1.

What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide?

The InChIKey is SMXCZGCPMGQLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN4O2.C28H28N4O2.C27H25FN4O3.C27H26N4O2.C21H22N4O3/c1-39-22-31(24-5-3-2-4-6-24)38-33(39)34(17-19-41-20-18-34)27-12-7-25(8-13-27)32(40)37-30-21-26(11-16-29(30)36)23-9-14-28(35)15-10-23;1-32-19-25(20-7-3-2-4-8-20)31-27(32)28(15-17-34-18-16-28)22-13-11-21(12-14-22)26(33)30-24-10-6-5-9-23(24)29;1-17-30-26(32-31-17)27(12-14-34-15-13-27)21-7-2-19(3-8-21)25(33)35-24-16-20(6-11-23(24)29)18-4-9-22(28)10-5-18;28-22-8-4-5-9-23(22)30-25(32)20-10-12-21(13-11-20)27(14-16-33-17-15-27)26-29-18-24(31-26)19-6-2-1-3-7-19;1-14-23-20(25-24-14)21(10-12-27-13-11-21)16-8-6-15(7-9-16)19(26)28-18-5-3-2-4-17(18)22/h2-16,21-22H,17-20,36H2,1H3,(H,37,40);2-14,19H,15-18,29H2,1H3,(H,30,33);2-11,16H,12-15,29H2,1H3,(H,30,31,32);1-13,18H,14-17,28H2,(H,29,31)(H,30,32);2-9H,10-13,22H2,1H3,(H,23,24,25).

What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide?

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide has a molecular weight of 2288.69 g/mol, XLogP of 24.68, 25 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;[2-amino-5-(4-fluorophenyl)phenyl] 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(1-methyl-4-phenylimidazol-2-yl)oxan-4-yl]benzamide;(2-aminophenyl) 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzoate;N-(2-aminophenyl)-4-[4-(5-phenyl-1H-imidazol-2-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 160879973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).