2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide

C20H18F3NO2 — CID 9841851

IUPAC2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)ethyl]acetamide
SMILESCOC1=CC2=C(CC(=C2CCNC(=O)C(F)(F)F)C3=CC=CC=C3)C=C1
InChIInChI=1S/C20H18F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12H,9-11H2,1H3,(H,24,25)
InChIKeyRNQHQDOYQDLKDV-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.10
Rot. Bonds5

About 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide

2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide (PubChem CID 9841851) has the molecular formula C20H18F3NO2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide
PubChem CID9841851
Molecular FormulaC20H18F3NO2
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)ethyl]acetamide
SMILESCOC1=CC2=C(CC(=C2CCNC(=O)C(F)(F)F)C3=CC=CC=C3)C=C1
InChIInChI=1S/C20H18F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12H,9-11H2,1H3,(H,24,25)
InChIKeyRNQHQDOYQDLKDV-UHFFFAOYSA-N
XLogP4.10
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity538

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-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 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide?
The IUPAC name of 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide (CID 9841851) is 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide?
The canonical SMILES for 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide is COC1=CC2=C(CC(=C2CCNC(=O)C(F)(F)F)C3=CC=CC=C3)C=C1.
What is the InChIKey of 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide?
The InChIKey is RNQHQDOYQDLKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12H,9-11H2,1H3,(H,24,25).
What are the key properties of 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide?
2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide has a molecular weight of 361.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide is sourced from PubChem (CID 9841851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).