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

C18H18BrN5O — CID 8794570

IUPACN-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccccc2Br)n1
InChIInChI=1S/C18H18BrN5O/c1-2-23(12-14-8-4-3-5-9-14)17(25)13-24-21-18(20-22-24)15-10-6-7-11-16(15)19/h3-11H,2,12-13H2,1H3
InChIKeyJASCKOSVEIAERJ-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.15
Rot. Bonds6

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

N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide (PubChem CID 8794570) has the molecular formula C18H18BrN5O and a molecular weight of 400.28 g/mol. Its IUPAC name is N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide
PubChem CID8794570
Molecular FormulaC18H18BrN5O
Molecular Weight400.28 g/mol
Exact Mass399.07
IUPAC NameN-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccccc2Br)n1
InChIInChI=1S/C18H18BrN5O/c1-2-23(12-14-8-4-3-5-9-14)17(25)13-24-21-18(20-22-24)15-10-6-7-11-16(15)19/h3-11H,2,12-13H2,1H3
InChIKeyJASCKOSVEIAERJ-UHFFFAOYSA-N
XLogP3.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2445984
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8537300
N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8509816
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 60514491
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-[5-(2-bromophenyl)tetrazol-2-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 17437820
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 7963815

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide (CID 8794570) is N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccccc2Br)n1.
What is the InChIKey of N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide?
The InChIKey is JASCKOSVEIAERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O/c1-2-23(12-14-8-4-3-5-9-14)17(25)13-24-21-18(20-22-24)15-10-6-7-11-16(15)19/h3-11H,2,12-13H2,1H3.
What are the key properties of N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide?
N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide has a molecular weight of 400.28 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 8794570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).