2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H11F3N2O3 — CID 3262886

IUPAC2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-11-7-5-10(6-8-11)22-16(24)15(23)13-9-21-14-4-2-1-3-12(13)14/h1-9,21H,(H,22,24)
InChIKeyYSPOMFMQKSOTQT-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.89
Rot. Bonds4

About 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 3262886) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID3262886
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-11-7-5-10(6-8-11)22-16(24)15(23)13-9-21-14-4-2-1-3-12(13)14/h1-9,21H,(H,22,24)
InChIKeyYSPOMFMQKSOTQT-UHFFFAOYSA-N
XLogP3.89
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 3262886) is 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YSPOMFMQKSOTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)25-11-7-5-10(6-8-11)22-16(24)15(23)13-9-21-14-4-2-1-3-12(13)14/h1-9,21H,(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 348.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 3262886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).