2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide

C21H18F3N5O2 — CID 118962040

IUPAC2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
SMILESCn1ccc2cc(CC(=O)Nc3cnn(Cc4ccc(OC(F)(F)F)cc4)n3)ccc21
InChIInChI=1S/C21H18F3N5O2/c1-28-9-8-16-10-15(4-7-18(16)28)11-20(30)26-19-12-25-29(27-19)13-14-2-5-17(6-3-14)31-21(22,23)24/h2-10,12H,11,13H2,1H3,(H,26,27,30)
InChIKeyIEGGKWCXOIUSCU-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.90
Rot. Bonds6

About 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide

2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide (PubChem CID 118962040) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
PubChem CID118962040
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
SMILESCn1ccc2cc(CC(=O)Nc3cnn(Cc4ccc(OC(F)(F)F)cc4)n3)ccc21
InChIInChI=1S/C21H18F3N5O2/c1-28-9-8-16-10-15(4-7-18(16)28)11-20(30)26-19-12-25-29(27-19)13-14-2-5-17(6-3-14)31-21(22,23)24/h2-10,12H,11,13H2,1H3,(H,26,27,30)
InChIKeyIEGGKWCXOIUSCU-UHFFFAOYSA-N
XLogP3.90
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide
CID 118962161
N-[2-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
CID 118962067
N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
CID 118962154
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962107
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(2-methyl-1H-indol-5-yl)acetamide
CID 118962131
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide
CID 135260043
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
2-(1,3-dimethylindol-5-yl)-N-[2-[(3-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]acetamide
CID 154403859
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
CID 68991837
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]acetamide
CID 118962063

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide?
The IUPAC name of 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide (CID 118962040) is 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide.
What is the SMILES notation for 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide?
The canonical SMILES for 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide is Cn1ccc2cc(CC(=O)Nc3cnn(Cc4ccc(OC(F)(F)F)cc4)n3)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide?
The InChIKey is IEGGKWCXOIUSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-28-9-8-16-10-15(4-7-18(16)28)11-20(30)26-19-12-25-29(27-19)13-14-2-5-17(6-3-14)31-21(22,23)24/h2-10,12H,11,13H2,1H3,(H,26,27,30).
What are the key properties of 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide?
2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide has a molecular weight of 429.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide is sourced from PubChem (CID 118962040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).