N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide

C10H9FN4O2 — CID 113291703

IUPACN-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(O)c(F)c1
InChIInChI=1S/C10H9FN4O2/c11-8-5-7(1-2-9(8)16)13-10(17)6-15-4-3-12-14-15/h1-5,16H,6H2,(H,13,17)
InChIKeySMYGXRMTIIEVBO-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.76
Rot. Bonds3

About N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide

N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide (PubChem CID 113291703) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
PubChem CID113291703
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(O)c(F)c1
InChIInChI=1S/C10H9FN4O2/c11-8-5-7(1-2-9(8)16)13-10(17)6-15-4-3-12-14-15/h1-5,16H,6H2,(H,13,17)
InChIKeySMYGXRMTIIEVBO-UHFFFAOYSA-N
XLogP0.76
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide (CID 113291703) is N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide?
The InChIKey is SMYGXRMTIIEVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c11-8-5-7(1-2-9(8)16)13-10(17)6-15-4-3-12-14-15/h1-5,16H,6H2,(H,13,17).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide?
N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide has a molecular weight of 236.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 113291703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).