2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide

C47H33Cl2F3N6O2 — CID 158464237

IUPAC2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide
SMILESCc1cccc(C)c1-c1cc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2[nH]1.O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C26H21N3O.C21H12Cl2F3N3O/c1-16-6-5-7-17(2)25(16)23-14-19-10-11-20(15-22(19)27-23)26(30)29-24-13-12-18-8-3-4-9-21(18)28-24;22-14-2-1-3-15(23)19(14)17-8-11-4-5-12(9-16(11)29-17)20(30)28-13-6-7-18(27-10-13)21(24,25)26/h3-15,27H,1-2H3,(H,28,29,30);1-10,29H,(H,28,30)
InChIKeyHFOAXVPLGNFKQE-UHFFFAOYSA-N
MW841.72 g/mol
LogP13.06
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide

2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide (PubChem CID 158464237) has the molecular formula C47H33Cl2F3N6O2 and a molecular weight of 841.72 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide
PubChem CID158464237
Molecular FormulaC47H33Cl2F3N6O2
Molecular Weight841.72 g/mol
Exact Mass840.20
IUPAC Name2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide
SMILESCc1cccc(C)c1-c1cc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2[nH]1.O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C26H21N3O.C21H12Cl2F3N3O/c1-16-6-5-7-17(2)25(16)23-14-19-10-11-20(15-22(19)27-23)26(30)29-24-13-12-18-8-3-4-9-21(18)28-24;22-14-2-1-3-15(23)19(14)17-8-11-4-5-12(9-16(11)29-17)20(30)28-13-6-7-18(27-10-13)21(24,25)26/h3-15,27H,1-2H3,(H,28,29,30);1-10,29H,(H,28,30)
InChIKeyHFOAXVPLGNFKQE-UHFFFAOYSA-N
XLogP13.06
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.72
LogP ≤ 513.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide (CID 158464237) is 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide is Cc1cccc(C)c1-c1cc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2[nH]1.O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide?
The InChIKey is HFOAXVPLGNFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O.C21H12Cl2F3N3O/c1-16-6-5-7-17(2)25(16)23-14-19-10-11-20(15-22(19)27-23)26(30)29-24-13-12-18-8-3-4-9-21(18)28-24;22-14-2-1-3-15(23)19(14)17-8-11-4-5-12(9-16(11)29-17)20(30)28-13-6-7-18(27-10-13)21(24,25)26/h3-15,27H,1-2H3,(H,28,29,30);1-10,29H,(H,28,30).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide?
2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide has a molecular weight of 841.72 g/mol, XLogP of 13.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indole-6-carboxamide;2-(2,6-dimethylphenyl)-N-quinolin-2-yl-1H-indole-6-carboxamide is sourced from PubChem (CID 158464237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).