2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide

C17H20BrN5O — CID 8537300

IUPAC2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccccc2Br)n1)C1=CCCCC1
InChIInChI=1S/C17H20BrN5O/c1-2-22(13-8-4-3-5-9-13)16(24)12-23-20-17(19-21-23)14-10-6-7-11-15(14)18/h6-8,10-11H,2-5,9,12H2,1H3
InChIKeySRLKWTKGPXQQFM-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.41
Rot. Bonds5

About 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide

2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 8537300) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID8537300
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccccc2Br)n1)C1=CCCCC1
InChIInChI=1S/C17H20BrN5O/c1-2-22(13-8-4-3-5-9-13)16(24)12-23-20-17(19-21-23)14-10-6-7-11-15(14)18/h6-8,10-11H,2-5,9,12H2,1H3
InChIKeySRLKWTKGPXQQFM-UHFFFAOYSA-N
XLogP3.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopenten-1-yl)-N-ethyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 9114265
N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide
CID 8794570
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
2-[5-(2-bromophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8794568
2-[5-(2-bromophenyl)tetrazol-2-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 17437820
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11920988
N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2445984
(3S)-5-[2-[5-(2-bromophenyl)tetrazol-2-yl]acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9333082
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80703389
N-(1,3-benzodioxol-5-yl)-2-[5-(2-bromophenyl)tetrazol-2-yl]acetamide
CID 7963833
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 8537300) is 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)Cn1nnc(-c2ccccc2Br)n1)C1=CCCCC1.
What is the InChIKey of 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is SRLKWTKGPXQQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-2-22(13-8-4-3-5-9-13)16(24)12-23-20-17(19-21-23)14-10-6-7-11-15(14)18/h6-8,10-11H,2-5,9,12H2,1H3.
What are the key properties of 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 390.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 8537300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).