N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide

C9H8ClN5O2 — CID 35524087

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C9H8ClN5O2/c10-6-1-2-8(16)7(3-6)12-9(17)4-15-5-11-13-14-15/h1-3,5,16H,4H2,(H,12,17)
InChIKeyGDUWKPWGFRTZAP-UHFFFAOYSA-N
MW253.65 g/mol
LogP0.67
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide

N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 35524087) has the molecular formula C9H8ClN5O2 and a molecular weight of 253.65 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID35524087
Molecular FormulaC9H8ClN5O2
Molecular Weight253.65 g/mol
Exact Mass253.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C9H8ClN5O2/c10-6-1-2-8(16)7(3-6)12-9(17)4-15-5-11-13-14-15/h1-3,5,16H,4H2,(H,12,17)
InChIKeyGDUWKPWGFRTZAP-UHFFFAOYSA-N
XLogP0.67
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide (CID 35524087) is N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is GDUWKPWGFRTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2/c10-6-1-2-8(16)7(3-6)12-9(17)4-15-5-11-13-14-15/h1-3,5,16H,4H2,(H,12,17).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 253.65 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 35524087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).