2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

C11H10F2N4O2 — CID 83101153

IUPAC2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2cccc(F)c2F)n1
InChIInChI=1S/C11H10F2N4O2/c1-19-11-15-10(16-17-11)14-8(18)5-6-3-2-4-7(12)9(6)13/h2-4H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyHLPQXVZIKHGMQV-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.27
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83101153) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83101153
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC Name2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2cccc(F)c2F)n1
InChIInChI=1S/C11H10F2N4O2/c1-19-11-15-10(16-17-11)14-8(18)5-6-3-2-4-7(12)9(6)13/h2-4H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyHLPQXVZIKHGMQV-UHFFFAOYSA-N
XLogP1.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 154786179
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83092939
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
CID 83093046
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 83101153) is 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1n[nH]c(NC(=O)Cc2cccc(F)c2F)n1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is HLPQXVZIKHGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c1-19-11-15-10(16-17-11)14-8(18)5-6-3-2-4-7(12)9(6)13/h2-4H,5H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 268.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).