3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide

C18H15F3N2O3 — CID 102141068

IUPAC3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
SMILESCN(C)C(=O)c1cccc2c1C(O)(c1ccc(C(F)(F)F)cc1)C(=O)N2
InChIInChI=1S/C18H15F3N2O3/c1-23(2)15(24)12-4-3-5-13-14(12)17(26,16(25)22-13)10-6-8-11(9-7-10)18(19,20)21/h3-9,26H,1-2H3,(H,22,25)
InChIKeyJJYDEMNHHMEREG-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.60
Rot. Bonds2

About 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide

3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide (PubChem CID 102141068) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
PubChem CID102141068
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
SMILESCN(C)C(=O)c1cccc2c1C(O)(c1ccc(C(F)(F)F)cc1)C(=O)N2
InChIInChI=1S/C18H15F3N2O3/c1-23(2)15(24)12-4-3-5-13-14(12)17(26,16(25)22-13)10-6-8-11(9-7-10)18(19,20)21/h3-9,26H,1-2H3,(H,22,25)
InChIKeyJJYDEMNHHMEREG-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide (CID 102141068) is 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide is CN(C)C(=O)c1cccc2c1C(O)(c1ccc(C(F)(F)F)cc1)C(=O)N2.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The InChIKey is JJYDEMNHHMEREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-23(2)15(24)12-4-3-5-13-14(12)17(26,16(25)22-13)10-6-8-11(9-7-10)18(19,20)21/h3-9,26H,1-2H3,(H,22,25).
What are the key properties of 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide has a molecular weight of 364.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 102141068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).