N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide

C10H8Cl2N4O2 — CID 82885275

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H8Cl2N4O2/c11-7-3-6(4-8(12)10(7)18)14-9(17)5-16-2-1-13-15-16/h1-4,18H,5H2,(H,14,17)
InChIKeyPNJFBFLHVJRVIS-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.93
Rot. Bonds3

About N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide (PubChem CID 82885275) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
PubChem CID82885275
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H8Cl2N4O2/c11-7-3-6(4-8(12)10(7)18)14-9(17)5-16-2-1-13-15-16/h1-4,18H,5H2,(H,14,17)
InChIKeyPNJFBFLHVJRVIS-UHFFFAOYSA-N
XLogP1.93
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
CID 103824714
3-chloro-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 115348267
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173
2-methyl-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291668
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348490
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide
CID 81481429
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348507
3-[[2-(triazol-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 115348197
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
CID 75448832

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide (CID 82885275) is N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide?
The InChIKey is PNJFBFLHVJRVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c11-7-3-6(4-8(12)10(7)18)14-9(17)5-16-2-1-13-15-16/h1-4,18H,5H2,(H,14,17).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide has a molecular weight of 287.11 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 82885275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).