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

C11H11FN4O2 — CID 83092947

IUPAC2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C11H11FN4O2/c1-18-11-14-10(15-16-11)13-9(17)6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H2,13,14,15,16,17)
InChIKeyMNAYJEREGCKAPW-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.13
Rot. Bonds4

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

2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83092947) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83092947
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C11H11FN4O2/c1-18-11-14-10(15-16-11)13-9(17)6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H2,13,14,15,16,17)
InChIKeyMNAYJEREGCKAPW-UHFFFAOYSA-N
XLogP1.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 83092947) is 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1n[nH]c(NC(=O)Cc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is MNAYJEREGCKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-18-11-14-10(15-16-11)13-9(17)6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 250.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83092947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).