2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide

C10H9ClFN5O2 — CID 166940158

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFN5O2/c1-17-10(14-15-16-17)13-9(18)5-19-8-3-2-6(12)4-7(8)11/h2-4H,5H2,1H3,(H,13,14,16,18)
InChIKeyOTELNQIHWUTGHV-UHFFFAOYSA-N
MW285.67 g/mol
LogP1.02
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide (PubChem CID 166940158) has the molecular formula C10H9ClFN5O2 and a molecular weight of 285.67 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide
PubChem CID166940158
Molecular FormulaC10H9ClFN5O2
Molecular Weight285.67 g/mol
Exact Mass285.04
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFN5O2/c1-17-10(14-15-16-17)13-9(18)5-19-8-3-2-6(12)4-7(8)11/h2-4H,5H2,1H3,(H,13,14,16,18)
InChIKeyOTELNQIHWUTGHV-UHFFFAOYSA-N
XLogP1.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-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 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide (CID 166940158) is 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide is Cn1nnnc1NC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is OTELNQIHWUTGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5O2/c1-17-10(14-15-16-17)13-9(18)5-19-8-3-2-6(12)4-7(8)11/h2-4H,5H2,1H3,(H,13,14,16,18).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 285.67 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 166940158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).