2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C18H15F3N2O — CID 20969118

IUPAC2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)15-7-3-1-5-12(15)10-23-17(24)9-13-11-22-16-8-4-2-6-14(13)16/h1-8,11,22H,9-10H2,(H,23,24)
InChIKeyFGZBQLPVBJSXBE-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.05
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 20969118) has the molecular formula C18H15F3N2O and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID20969118
Molecular FormulaC18H15F3N2O
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)15-7-3-1-5-12(15)10-23-17(24)9-13-11-22-16-8-4-2-6-14(13)16/h1-8,11,22H,9-10H2,(H,23,24)
InChIKeyFGZBQLPVBJSXBE-UHFFFAOYSA-N
XLogP4.05
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
CID 58790355
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
CID 143542035
N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 47250258

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 20969118) is 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is FGZBQLPVBJSXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)15-7-3-1-5-12(15)10-23-17(24)9-13-11-22-16-8-4-2-6-14(13)16/h1-8,11,22H,9-10H2,(H,23,24).
What are the key properties of 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 332.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 20969118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).