2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide

C17H13F3N2O — CID 113211384

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N2O/c1-9-11(10-4-2-3-5-13(10)21-9)8-15(23)22-14-7-6-12(18)16(19)17(14)20/h2-7,21H,8H2,1H3,(H,22,23)
InChIKeyIYSDWTXIRHWHNL-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.07
Rot. Bonds3

About 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113211384) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113211384
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N2O/c1-9-11(10-4-2-3-5-13(10)21-9)8-15(23)22-14-7-6-12(18)16(19)17(14)20/h2-7,21H,8H2,1H3,(H,22,23)
InChIKeyIYSDWTXIRHWHNL-UHFFFAOYSA-N
XLogP4.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60555655
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 31899293
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 115680666
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 78852611
N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211880
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2413178

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 113211384) is 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is IYSDWTXIRHWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-9-11(10-4-2-3-5-13(10)21-9)8-15(23)22-14-7-6-12(18)16(19)17(14)20/h2-7,21H,8H2,1H3,(H,22,23).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 318.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113211384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).