N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C16H12F3N3O2 — CID 17165126

IUPACN-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)11-2-1-3-13(7-11)24-9-15(23)21-12-4-5-14-10(6-12)8-20-22-14/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyOJOGUDGQVNTPJF-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.60
Rot. Bonds4

About N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 17165126) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID17165126
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)11-2-1-3-13(7-11)24-9-15(23)21-12-4-5-14-10(6-12)8-20-22-14/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyOJOGUDGQVNTPJF-UHFFFAOYSA-N
XLogP3.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide 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-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 17165126) is N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is OJOGUDGQVNTPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)11-2-1-3-13(7-11)24-9-15(23)21-12-4-5-14-10(6-12)8-20-22-14/h1-8H,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 335.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 17165126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).