N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C18H18BrN5O3 — CID 46612021

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H18BrN5O3/c1-23(10-11-26-16-6-2-14(19)3-7-16)18(25)12-27-17-8-4-15(5-9-17)24-13-20-21-22-24/h2-9,13H,10-12H2,1H3
InChIKeyXUZVAFFWTUOAPF-UHFFFAOYSA-N
MW432.28 g/mol
LogP2.34
Rot. Bonds8

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 46612021) has the molecular formula C18H18BrN5O3 and a molecular weight of 432.28 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID46612021
Molecular FormulaC18H18BrN5O3
Molecular Weight432.28 g/mol
Exact Mass431.06
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H18BrN5O3/c1-23(10-11-26-16-6-2-14(19)3-7-16)18(25)12-27-17-8-4-15(5-9-17)24-13-20-21-22-24/h2-9,13H,10-12H2,1H3
InChIKeyXUZVAFFWTUOAPF-UHFFFAOYSA-N
XLogP2.34
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 46612021) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide is CN(CCOc1ccc(Br)cc1)C(=O)COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is XUZVAFFWTUOAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O3/c1-23(10-11-26-16-6-2-14(19)3-7-16)18(25)12-27-17-8-4-15(5-9-17)24-13-20-21-22-24/h2-9,13H,10-12H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 432.28 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 46612021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).