N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide

C14H18ClN5O2 — CID 3502326

IUPACN-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCCCCn1nnc(NC(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C14H18ClN5O2/c1-3-4-7-20-18-14(17-19-20)16-13(21)9-22-12-6-5-11(15)8-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18,21)
InChIKeyOAFZQFBYRHRYQK-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.45
Rot. Bonds7

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

N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 3502326) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID3502326
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC NameN-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCCCCn1nnc(NC(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C14H18ClN5O2/c1-3-4-7-20-18-14(17-19-20)16-13(21)9-22-12-6-5-11(15)8-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18,21)
InChIKeyOAFZQFBYRHRYQK-UHFFFAOYSA-N
XLogP2.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)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-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)acetamide;hydrochloride
CID 126468098
(2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 7368682
2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
CID 654531
2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
CID 954289
2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921139
N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 9185003
2-(4-chloro-2-methylphenoxy)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607370
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
2-(4-chloro-2-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109772
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 7614464

Frequently Asked Questions

What is the IUPAC name of N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide (CID 3502326) is N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide is CCCCn1nnc(NC(=O)COc2ccc(Cl)cc2C)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is OAFZQFBYRHRYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-3-4-7-20-18-14(17-19-20)16-13(21)9-22-12-6-5-11(15)8-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18,21).
What are the key properties of N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 323.78 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 3502326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).