2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C17H20ClN5O — CID 46262678

IUPAC2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(Cn1nnnc1-c1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C17H20ClN5O/c18-15-8-6-14(7-9-15)17-20-21-22-23(17)12-16(24)19-11-10-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2,(H,19,24)
InChIKeyQMIYVHFCAISLTC-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.00
Rot. Bonds6

About 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 46262678) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID46262678
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(Cn1nnnc1-c1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C17H20ClN5O/c18-15-8-6-14(7-9-15)17-20-21-22-23(17)12-16(24)19-11-10-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2,(H,19,24)
InChIKeyQMIYVHFCAISLTC-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421680
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 122174912
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817
2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122175421
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
CID 9329985
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55352111
2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 22334767
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
2-(6-chlorobenzotriazol-1-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 7696871

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 46262678) is 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(Cn1nnnc1-c1ccc(Cl)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is QMIYVHFCAISLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c18-15-8-6-14(7-9-15)17-20-21-22-23(17)12-16(24)19-11-10-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2,(H,19,24).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 46262678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).