N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide

C16H13F3N2O3 — CID 47051732

IUPACN-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H13F3N2O3/c1-21(9-12-3-2-6-23-12)15(22)14-7-10-4-5-11(8-13(10)20-14)24-16(17,18)19/h2-8,20H,9H2,1H3
InChIKeyDDXYMHIMZHPCHX-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.93
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide

N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 47051732) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID47051732
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H13F3N2O3/c1-21(9-12-3-2-6-23-12)15(22)14-7-10-4-5-11(8-13(10)20-14)24-16(17,18)19/h2-8,20H,9H2,1H3
InChIKeyDDXYMHIMZHPCHX-UHFFFAOYSA-N
XLogP3.93
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 47051732) is N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide is CN(Cc1ccco1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is DDXYMHIMZHPCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-21(9-12-3-2-6-23-12)15(22)14-7-10-4-5-11(8-13(10)20-14)24-16(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-6-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 47051732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).