N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide

C11H9F3N2O2 — CID 58656610

IUPACN-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C11H9F3N2O2/c1-15-10(17)9-5-6-4-7(18-11(12,13)14)2-3-8(6)16-9/h2-5,16H,1H3,(H,15,17)
InChIKeyHCMKXXGIALPHRM-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.43
Rot. Bonds2

About N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide

N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 58656610) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID58656610
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC NameN-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C11H9F3N2O2/c1-15-10(17)9-5-6-4-7(18-11(12,13)14)2-3-8(6)16-9/h2-5,16H,1H3,(H,15,17)
InChIKeyHCMKXXGIALPHRM-UHFFFAOYSA-N
XLogP2.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 58656610) is N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1.
What is the InChIKey of N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is HCMKXXGIALPHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-15-10(17)9-5-6-4-7(18-11(12,13)14)2-3-8(6)16-9/h2-5,16H,1H3,(H,15,17).
What are the key properties of N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 258.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 58656610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).