2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide

C11H12ClN5O2 — CID 953382

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nnn(C)n2)ccc1Cl
InChIInChI=1S/C11H12ClN5O2/c1-7-5-8(3-4-9(7)12)19-6-10(18)13-11-14-16-17(2)15-11/h3-5H,6H2,1-2H3,(H,13,15,18)
InChIKeyFWEUSQUNVMIQLI-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.19
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 953382) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID953382
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nnn(C)n2)ccc1Cl
InChIInChI=1S/C11H12ClN5O2/c1-7-5-8(3-4-9(7)12)19-6-10(18)13-11-14-16-17(2)15-11/h3-5H,6H2,1-2H3,(H,13,15,18)
InChIKeyFWEUSQUNVMIQLI-UHFFFAOYSA-N
XLogP1.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-3-methylphenoxy)-N-(2-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

Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(2-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893394
2-(4-Chloro-2-methyl-phenoxy)-N-(1-propyl-1H-tetrazol-5-yl)-acetamide
CID 2066641
2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2667815
2-(4-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 648464
2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851478
2-(2,3-dimethylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953413
N-(2-butyl-2H-tetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 2219062
2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2225490
2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 71624133
2-(4-chloro-3,5-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 703736

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (CID 953382) is 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is Cc1cc(OCC(=O)Nc2nnn(C)n2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is FWEUSQUNVMIQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-7-5-8(3-4-9(7)12)19-6-10(18)13-11-14-16-17(2)15-11/h3-5H,6H2,1-2H3,(H,13,15,18).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 281.70 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 953382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).