N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide

C14H14ClF3N2O3 — CID 171518593

IUPACN-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)c(OCCOC(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H14ClF3N2O3/c1-8(21)19-7-10-4-9-5-11(15)13(6-12(9)20-10)22-2-3-23-14(16,17)18/h4-6,20H,2-3,7H2,1H3,(H,19,21)
InChIKeyYYJTVFPUTHNUGX-UHFFFAOYSA-N
MW350.72 g/mol
LogP3.37
Rot. Bonds6

About N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide

N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide (PubChem CID 171518593) has the molecular formula C14H14ClF3N2O3 and a molecular weight of 350.72 g/mol. Its IUPAC name is N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide
PubChem CID171518593
Molecular FormulaC14H14ClF3N2O3
Molecular Weight350.72 g/mol
Exact Mass350.06
IUPAC NameN-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)c(OCCOC(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H14ClF3N2O3/c1-8(21)19-7-10-4-9-5-11(15)13(6-12(9)20-10)22-2-3-23-14(16,17)18/h4-6,20H,2-3,7H2,1H3,(H,19,21)
InChIKeyYYJTVFPUTHNUGX-UHFFFAOYSA-N
XLogP3.37
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide (CID 171518593) is N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide is CC(=O)NCc1cc2cc(Cl)c(OCCOC(F)(F)F)cc2[nH]1.
What is the InChIKey of N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide?
The InChIKey is YYJTVFPUTHNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O3/c1-8(21)19-7-10-4-9-5-11(15)13(6-12(9)20-10)22-2-3-23-14(16,17)18/h4-6,20H,2-3,7H2,1H3,(H,19,21).
What are the key properties of N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide?
N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide has a molecular weight of 350.72 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[2-(trifluoromethoxy)ethoxy]-1H-indol-2-yl]methyl]acetamide is sourced from PubChem (CID 171518593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).