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

C21H19F2N5O2 — CID 118962161

IUPACN-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide
SMILESCn1ccc2cc(CC(=O)Nc3cnn(Cc4ccc(OC(F)F)cc4)n3)ccc21
InChIInChI=1S/C21H19F2N5O2/c1-27-9-8-16-10-15(4-7-18(16)27)11-20(29)25-19-12-24-28(26-19)13-14-2-5-17(6-3-14)30-21(22)23/h2-10,12,21H,11,13H2,1H3,(H,25,26,29)
InChIKeyVYKXTHKNGBKMET-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.60
Rot. Bonds7

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

N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide (PubChem CID 118962161) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide
PubChem CID118962161
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC NameN-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide
SMILESCn1ccc2cc(CC(=O)Nc3cnn(Cc4ccc(OC(F)F)cc4)n3)ccc21
InChIInChI=1S/C21H19F2N5O2/c1-27-9-8-16-10-15(4-7-18(16)27)11-20(29)25-19-12-24-28(26-19)13-14-2-5-17(6-3-14)30-21(22)23/h2-10,12,21H,11,13H2,1H3,(H,25,26,29)
InChIKeyVYKXTHKNGBKMET-UHFFFAOYSA-N
XLogP3.60
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962040
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962107
N-[2-[(4-ethoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
CID 118962154
N-[2-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
CID 118962067
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]acetamide
CID 118962063
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(2-methyl-1H-indol-5-yl)acetamide
CID 118962131
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 118962012
2-(1,3-dimethylindol-5-yl)-N-[2-[(3-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]acetamide
CID 154403859
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 126740614
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34136582
2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183967
2-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 33142873

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide?
The IUPAC name of N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide (CID 118962161) is N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide.
What is the SMILES notation for N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide?
The canonical SMILES for N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide is Cn1ccc2cc(CC(=O)Nc3cnn(Cc4ccc(OC(F)F)cc4)n3)ccc21.
What is the InChIKey of N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide?
The InChIKey is VYKXTHKNGBKMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c1-27-9-8-16-10-15(4-7-18(16)27)11-20(29)25-19-12-24-28(26-19)13-14-2-5-17(6-3-14)30-21(22)23/h2-10,12,21H,11,13H2,1H3,(H,25,26,29).
What are the key properties of N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide?
N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide has a molecular weight of 411.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide is sourced from PubChem (CID 118962161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).