2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide

C18H15F3N2O — CID 112534141

IUPAC2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C18H15F3N2O/c1-11-4-2-3-5-12(11)10-17(24)22-14-6-7-15-13(8-14)9-16(23-15)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24)
InChIKeyTWYJDSIRCZFRGG-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.68
Rot. Bonds3

About 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide

2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide (PubChem CID 112534141) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide
PubChem CID112534141
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C18H15F3N2O/c1-11-4-2-3-5-12(11)10-17(24)22-14-6-7-15-13(8-14)9-16(23-15)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24)
InChIKeyTWYJDSIRCZFRGG-UHFFFAOYSA-N
XLogP4.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide
CID 84581711
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 60541350
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
2-(2-methylphenyl)-N-quinoxalin-6-ylacetamide
CID 110723730
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide (CID 112534141) is 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide is Cc1ccccc1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)cc2c1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide?
The InChIKey is TWYJDSIRCZFRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-11-4-2-3-5-12(11)10-17(24)22-14-6-7-15-13(8-14)9-16(23-15)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24).
What are the key properties of 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide?
2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide has a molecular weight of 332.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 112534141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).