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

C10H9ClN4O2 — CID 64788698

IUPACN-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H9ClN4O2/c11-8-3-7(1-2-9(8)16)14-10(17)4-15-6-12-5-13-15/h1-3,5-6,16H,4H2,(H,14,17)
InChIKeyJFQJJGAQZBABIP-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.28
Rot. Bonds3

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

N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 64788698) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID64788698
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H9ClN4O2/c11-8-3-7(1-2-9(8)16)14-10(17)4-15-6-12-5-13-15/h1-3,5-6,16H,4H2,(H,14,17)
InChIKeyJFQJJGAQZBABIP-UHFFFAOYSA-N
XLogP1.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepan-1-ylmethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 46958365
N-(3-chloro-4-hydroxyphenyl)-2-pyridin-4-ylacetamide
CID 64787327
3-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 115339379
N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43601866
N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 146122005
N-(4-acetyl-3-chlorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 75455006
N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 115683262
N-(4-bromo-3,5-dimethylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106491136
N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103479652
N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 16788926
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103747510
N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51093159

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 64788698) is N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is JFQJJGAQZBABIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-8-3-7(1-2-9(8)16)14-10(17)4-15-6-12-5-13-15/h1-3,5-6,16H,4H2,(H,14,17).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 252.66 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 64788698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).