2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide

C13H16ClN5O2 — CID 2066641

IUPAC2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C13H16ClN5O2/c1-3-6-19-13(16-17-18-19)15-12(20)8-21-11-5-4-10(14)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,18,20)
InChIKeyHQTACUOLGXUCFB-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide (PubChem CID 2066641) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
PubChem CID2066641
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C13H16ClN5O2/c1-3-6-19-13(16-17-18-19)15-12(20)8-21-11-5-4-10(14)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,18,20)
InChIKeyHQTACUOLGXUCFB-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-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

N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4725740
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-1,2,4-triazole
CID 3333017
2-(4-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 648464
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477
2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851478
N-(2-butyl-2H-tetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 2219062
2-(4-chloro-2-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893324
N-(5-chloro-2-ethoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 2991150
2-(4-chloro-2-methylphenoxy)-N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide
CID 295477
N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 1893516
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953382

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide (CID 2066641) is 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide is CCCn1nnnc1NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The InChIKey is HQTACUOLGXUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-3-6-19-13(16-17-18-19)15-12(20)8-21-11-5-4-10(14)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,18,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide has a molecular weight of 309.76 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 2066641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).