5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide

C50H35Cl3F5N7O4 — CID 157289193

About 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide

5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide (PubChem CID 157289193) has the molecular formula C50H35Cl3F5N7O4 and a molecular weight of 999.22 g/mol. Its IUPAC name is 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
• PubChem CID: 157289193
• Molecular Formula: C50H35Cl3F5N7O4
• Molecular Weight: 999.22 g/mol
• Exact Mass: 997.17
• IUPAC Name: 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
• SMILES: Cc1c(C(N)=O)[nH]c2c(-c3ccc(C#N)cc3)cc(Cl)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(F)cc3F)cc(Cl)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(Cl)cc12
• InChI: InChI=1S/C17H12ClF3N2O2.C17H12ClN3O.C16H11ClF2N2O/c1-8-12-6-10(18)7-13(15(12)23-14(8)16(22)24)9-2-4-11(5-3-9)25-17(19,20)21;1-9-13-6-12(18)7-14(16(13)21-15(9)17(20)22)11-4-2-10(8-19)3-5-11;1-7-11-4-8(17)5-12(15(11)21-14(7)16(20)22)10-3-2-9(18)6-13(10)19/h2-7,23H,1H3,(H2,22,24);2-7,21H,1H3,(H2,20,22);2-6,21H,1H3,(H2,20,22)
• InChIKey: BAPFHYUIEXVYKL-UHFFFAOYSA-N
• XLogP: 12.74
• TPSA: 209.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.22
LogP ≤ 5	12.74
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 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?

The IUPAC name of 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide (CID 157289193) is 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?

The canonical SMILES for 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide is Cc1c(C(N)=O)[nH]c2c(-c3ccc(C#N)cc3)cc(Cl)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(F)cc3F)cc(Cl)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(Cl)cc12.

What is the InChIKey of 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?

The InChIKey is BAPFHYUIEXVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2.C17H12ClN3O.C16H11ClF2N2O/c1-8-12-6-10(18)7-13(15(12)23-14(8)16(22)24)9-2-4-11(5-3-9)25-17(19,20)21;1-9-13-6-12(18)7-14(16(13)21-15(9)17(20)22)11-4-2-10(8-19)3-5-11;1-7-11-4-8(17)5-12(15(11)21-14(7)16(20)22)10-3-2-9(18)6-13(10)19/h2-7,23H,1H3,(H2,22,24);2-7,21H,1H3,(H2,20,22);2-6,21H,1H3,(H2,20,22).

What are the key properties of 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?

5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide has a molecular weight of 999.22 g/mol, XLogP of 12.74, 7 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 157289193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).