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

C14H16ClN5O2 — CID 17027341

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
SMILESC=CCn1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C14H16ClN5O2/c1-4-5-20-18-14(17-19-20)16-12(21)8-22-11-6-9(2)13(15)10(3)7-11/h4,6-7H,1,5,8H2,2-3H3,(H,16,18,21)
InChIKeyLYDSPKBEWLBBMW-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.15
Rot. Bonds6

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

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide (PubChem CID 17027341) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
PubChem CID17027341
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
SMILESC=CCn1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C14H16ClN5O2/c1-4-5-20-18-14(17-19-20)16-12(21)8-22-11-6-9(2)13(15)10(3)7-11/h4,6-7H,1,5,8H2,2-3H3,(H,16,18,21)
InChIKeyLYDSPKBEWLBBMW-UHFFFAOYSA-N
XLogP2.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.15
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-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
CID 17177374
2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
CID 954289
3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177253
2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108751712
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3502326
2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)acetamide;hydrochloride
CID 126468098
2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114305
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
2-(4-chloro-3,5-dimethylphenoxy)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752902

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide (CID 17027341) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide is C=CCn1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide?
The InChIKey is LYDSPKBEWLBBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-4-5-20-18-14(17-19-20)16-12(21)8-22-11-6-9(2)13(15)10(3)7-11/h4,6-7H,1,5,8H2,2-3H3,(H,16,18,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide has a molecular weight of 321.77 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide is sourced from PubChem (CID 17027341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).