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

C13H14ClN5O2 — CID 17177374

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
SMILESC=CCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C13H14ClN5O2/c1-3-6-19-17-13(16-18-19)15-12(20)8-21-10-4-5-11(14)9(2)7-10/h3-5,7H,1,6,8H2,2H3,(H,15,17,20)
InChIKeyNPJWTGITFDGGTQ-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.84
Rot. Bonds6

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

2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide (PubChem CID 17177374) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
PubChem CID17177374
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
SMILESC=CCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C13H14ClN5O2/c1-3-6-19-17-13(16-18-19)15-12(20)8-21-10-4-5-11(14)9(2)7-10/h3-5,7H,1,6,8H2,2H3,(H,15,17,20)
InChIKeyNPJWTGITFDGGTQ-UHFFFAOYSA-N
XLogP1.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
CID 17027341
2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
CID 954289
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 17012560
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
2-(4-chloro-3-methylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 2987150
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-prop-2-enylthiourea
CID 17371289
N-(5-bromo-2-pyridinyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 1224606
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109443
2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)acetamide;hydrochloride
CID 126468098
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide (CID 17177374) is 2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide is C=CCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide?
The InChIKey is NPJWTGITFDGGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-3-6-19-17-13(16-18-19)15-12(20)8-21-10-4-5-11(14)9(2)7-10/h3-5,7H,1,6,8H2,2H3,(H,15,17,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide has a molecular weight of 307.74 g/mol, XLogP of 1.84, 6 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-prop-2-enyltetrazol-5-yl)acetamide is sourced from PubChem (CID 17177374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).