N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide

C17H15F3N2O3 — CID 47051730

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)o1
InChIInChI=1S/C17H15F3N2O3/c1-10-3-5-13(24-10)9-22(2)16(23)15-7-11-4-6-12(8-14(11)21-15)25-17(18,19)20/h3-8,21H,9H2,1-2H3
InChIKeyOPCKGXQGXZJCJZ-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.24
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 47051730) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID47051730
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)o1
InChIInChI=1S/C17H15F3N2O3/c1-10-3-5-13(24-10)9-22(2)16(23)15-7-11-4-6-12(8-14(11)21-15)25-17(18,19)20/h3-8,21H,9H2,1-2H3
InChIKeyOPCKGXQGXZJCJZ-UHFFFAOYSA-N
XLogP4.24
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 47051730) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide is Cc1ccc(CN(C)C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is OPCKGXQGXZJCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-10-3-5-13(24-10)9-22(2)16(23)15-7-11-4-6-12(8-14(11)21-15)25-17(18,19)20/h3-8,21H,9H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 47051730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).