N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide

C17H14F2N4O — CID 46993845

IUPACN-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2ccccc2)nn1-c1cc(F)ccc1F
InChIInChI=1S/C17H14F2N4O/c1-11(24)20-10-16-21-17(12-5-3-2-4-6-12)22-23(16)15-9-13(18)7-8-14(15)19/h2-9H,10H2,1H3,(H,20,24)
InChIKeyLVGYXCDINJUGMJ-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.85
Rot. Bonds4

About N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide

N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide (PubChem CID 46993845) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
PubChem CID46993845
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2ccccc2)nn1-c1cc(F)ccc1F
InChIInChI=1S/C17H14F2N4O/c1-11(24)20-10-16-21-17(12-5-3-2-4-6-12)22-23(16)15-9-13(18)7-8-14(15)19/h2-9H,10H2,1H3,(H,20,24)
InChIKeyLVGYXCDINJUGMJ-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
CID 46987299
N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 46994346
1-(2,5-difluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421480
N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
CID 110294904
1-[5-amino-1-(2,5-difluorophenyl)-3-phenylpyrazol-4-yl]-3-[3-(dimethylamino)propyl]urea
CID 42873167
4-[[2-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
CID 164618112
N-hydroxy-4-[[2-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164619515
N-(2,5-difluorophenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288806
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide
CID 50753878
1-[5-[(4-fluorophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]propan-1-one
CID 22332243
N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110630786

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide (CID 46993845) is N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide is CC(=O)NCc1nc(-c2ccccc2)nn1-c1cc(F)ccc1F.
What is the InChIKey of N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide?
The InChIKey is LVGYXCDINJUGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-11(24)20-10-16-21-17(12-5-3-2-4-6-12)22-23(16)15-9-13(18)7-8-14(15)19/h2-9H,10H2,1H3,(H,20,24).
What are the key properties of N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide?
N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide has a molecular weight of 328.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 46993845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).