2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide

C13H15F2N5O — CID 114778434

IUPAC2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CC(F)(F)c2ccccc2)nn1
InChIInChI=1S/C13H15F2N5O/c14-13(15,10-4-2-1-3-5-10)9-20-8-11(18-19-20)7-17-12(21)6-16/h1-5,8H,6-7,9,16H2,(H,17,21)
InChIKeyXFKDORRSFMYLCS-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.64
Rot. Bonds6

About 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide (PubChem CID 114778434) has the molecular formula C13H15F2N5O and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
PubChem CID114778434
Molecular FormulaC13H15F2N5O
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CC(F)(F)c2ccccc2)nn1
InChIInChI=1S/C13H15F2N5O/c14-13(15,10-4-2-1-3-5-10)9-20-8-11(18-19-20)7-17-12(21)6-16/h1-5,8H,6-7,9,16H2,(H,17,21)
InChIKeyXFKDORRSFMYLCS-UHFFFAOYSA-N
XLogP0.64
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220806
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]propan-1-ol
CID 116790421
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
2-amino-N-[[1-[(2-bromo-3-fluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778514
2-amino-N-[[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide (CID 114778434) is 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(CC(F)(F)c2ccccc2)nn1.
What is the InChIKey of 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide?
The InChIKey is XFKDORRSFMYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O/c14-13(15,10-4-2-1-3-5-10)9-20-8-11(18-19-20)7-17-12(21)6-16/h1-5,8H,6-7,9,16H2,(H,17,21).
What are the key properties of 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide has a molecular weight of 295.29 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).