7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide

C49H34ClF6N7O4 — CID 162170910

About 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide

7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 162170910) has the molecular formula C49H34ClF6N7O4 and a molecular weight of 934.30 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide
• PubChem CID: 162170910
• Molecular Formula: C49H34ClF6N7O4
• Molecular Weight: 934.30 g/mol
• Exact Mass: 933.23
• IUPAC Name: 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide
• SMILES: Cc1c(C(N)=O)[nH]c2c(-c3ccc(Cl)cc3)cc(F)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(F)cc3)cc(F)cc12.N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)c2[nH]c(C(N)=O)cc2c1
• InChI: InChI=1S/C17H10F3N3O2.C16H12ClFN2O.C16H12F2N2O/c18-17(19,20)25-12-3-1-10(2-4-12)13-6-9(8-21)5-11-7-14(16(22)24)23-15(11)13;2*1-8-12-6-11(18)7-13(9-2-4-10(17)5-3-9)15(12)20-14(8)16(19)21/h1-7,23H,(H2,22,24);2*2-7,20H,1H3,(H2,19,21)
• InChIKey: ZNTSZWQLPUYCMX-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 209.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.30
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide?

The IUPAC name of 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide (CID 162170910) is 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide.

What is the SMILES notation for 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide?

The canonical SMILES for 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide is Cc1c(C(N)=O)[nH]c2c(-c3ccc(Cl)cc3)cc(F)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(F)cc3)cc(F)cc12.N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)c2[nH]c(C(N)=O)cc2c1.

What is the InChIKey of 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide?

The InChIKey is ZNTSZWQLPUYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2.C16H12ClFN2O.C16H12F2N2O/c18-17(19,20)25-12-3-1-10(2-4-12)13-6-9(8-21)5-11-7-14(16(22)24)23-15(11)13;2*1-8-12-6-11(18)7-13(9-2-4-10(17)5-3-9)15(12)20-14(8)16(19)21/h1-7,23H,(H2,22,24);2*2-7,20H,1H3,(H2,19,21).

What are the key properties of 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide?

7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 934.30 g/mol, XLogP of 11.26, 7 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chlorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-cyano-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 162170910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).