N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide

C11H12ClN5O2 — CID 18565669

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN5O2/c1-19-7-11(18)13-6-10-14-15-16-17(10)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,18)
InChIKeyWFNXUVWKQVWYOO-UHFFFAOYSA-N
MW281.70 g/mol
LogP0.58
Rot. Bonds5

About N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide (PubChem CID 18565669) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide
PubChem CID18565669
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN5O2/c1-19-7-11(18)13-6-10-14-15-16-17(10)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,18)
InChIKeyWFNXUVWKQVWYOO-UHFFFAOYSA-N
XLogP0.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide 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-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide (CID 18565669) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide?
The InChIKey is WFNXUVWKQVWYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-19-7-11(18)13-6-10-14-15-16-17(10)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,18).
What are the key properties of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide has a molecular weight of 281.70 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 18565669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).