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

C52H39Cl5F3N7O4 — CID 158116455

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

5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide (PubChem CID 158116455) has the molecular formula C52H39Cl5F3N7O4 and a molecular weight of 1060.19 g/mol. Its IUPAC name is 5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide
• PubChem CID: 158116455
• Molecular Formula: C52H39Cl5F3N7O4
• Molecular Weight: 1060.19 g/mol
• Exact Mass: 1057.15
• IUPAC Name: 5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide
• SMILES: Cc1c(C(N)=O)[nH]c2c(-c3ccc(Cl)cc3Cl)cc(Cl)cc12.Cc1c(C(N)=O)n(C)c2c(-c3ccc(C#N)cc3)cc(Cl)cc12.Cc1c(C(N)=O)n(C)c2c(-c3ccc(OC(F)(F)F)cc3)cc(Cl)cc12
• InChI: InChI=1S/C18H14ClF3N2O2.C18H14ClN3O.C16H11Cl3N2O/c1-9-13-7-11(19)8-14(16(13)24(2)15(9)17(23)25)10-3-5-12(6-4-10)26-18(20,21)22;1-10-14-7-13(19)8-15(12-5-3-11(9-20)4-6-12)17(14)22(2)16(10)18(21)23;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/h3-8H,1-2H3,(H2,23,25);3-8H,1-2H3,(H2,21,23);2-6,21H,1H3,(H2,20,22)
• InChIKey: FRBJZQCPGJDYHN-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 187.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1060.19
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide?

The IUPAC name of 5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide (CID 158116455) is 5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide.

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

The canonical SMILES for 5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide is Cc1c(C(N)=O)[nH]c2c(-c3ccc(Cl)cc3Cl)cc(Cl)cc12.Cc1c(C(N)=O)n(C)c2c(-c3ccc(C#N)cc3)cc(Cl)cc12.Cc1c(C(N)=O)n(C)c2c(-c3ccc(OC(F)(F)F)cc3)cc(Cl)cc12.

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

The InChIKey is FRBJZQCPGJDYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2.C18H14ClN3O.C16H11Cl3N2O/c1-9-13-7-11(19)8-14(16(13)24(2)15(9)17(23)25)10-3-5-12(6-4-10)26-18(20,21)22;1-10-14-7-13(19)8-15(12-5-3-11(9-20)4-6-12)17(14)22(2)16(10)18(21)23;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/h3-8H,1-2H3,(H2,23,25);3-8H,1-2H3,(H2,21,23);2-6,21H,1H3,(H2,20,22).

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

5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide has a molecular weight of 1060.19 g/mol, XLogP of 13.78, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-7-(4-cyanophenyl)-1,3-dimethylindole-2-carboxamide;5-chloro-7-(2,4-dichlorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)phenyl]indole-2-carboxamide is sourced from PubChem (CID 158116455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).