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

C50H35F8N7O4 — CID 159845539

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

7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide (PubChem CID 159845539) has the molecular formula C50H35F8N7O4 and a molecular weight of 949.86 g/mol. Its IUPAC name is 7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
• PubChem CID: 159845539
• Molecular Formula: C50H35F8N7O4
• Molecular Weight: 949.86 g/mol
• Exact Mass: 949.26
• IUPAC Name: 7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
• SMILES: Cc1c(C(N)=O)[nH]c2c(-c3ccc(C#N)cc3)cc(F)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(F)cc3F)cc(F)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12
• InChI: InChI=1S/C17H12F4N2O2.C17H12FN3O.C16H11F3N2O/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;1-7-11-4-9(18)5-12(15(11)21-14(7)16(20)22)10-3-2-8(17)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: NPGBBYYMGPXQDL-UHFFFAOYSA-N
• XLogP: 11.19
• 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	949.86
LogP ≤ 5	11.19
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-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?

The IUPAC name of 7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide (CID 159845539) is 7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide.

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

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

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

The InChIKey is NPGBBYYMGPXQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2.C17H12FN3O.C16H11F3N2O/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;1-7-11-4-9(18)5-12(15(11)21-14(7)16(20)22)10-3-2-8(17)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 7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?

7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide has a molecular weight of 949.86 g/mol, XLogP of 11.19, 7 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-cyanophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159845539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).