2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

C14H14BrN3O2 — CID 84594812

IUPAC2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)COc1ccccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-18(9-11-8-16-6-7-17-11)14(19)10-20-13-5-3-2-4-12(13)15/h2-8H,9-10H2,1H3
InChIKeyBHVBDYDZTFZDAN-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 84594812) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID84594812
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)COc1ccccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-18(9-11-8-16-6-7-17-11)14(19)10-20-13-5-3-2-4-12(13)15/h2-8H,9-10H2,1H3
InChIKeyBHVBDYDZTFZDAN-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43397563
2-[2-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43563276
2-(2-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112777999
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide
CID 112777986
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 125156790
2-[[2-(2-bromophenoxy)acetyl]-propylamino]acetic acid
CID 120519580
N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
CID 50983286
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 28576849

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (CID 84594812) is 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is CN(Cc1cnccn1)C(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is BHVBDYDZTFZDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-18(9-11-8-16-6-7-17-11)14(19)10-20-13-5-3-2-4-12(13)15/h2-8H,9-10H2,1H3.
What are the key properties of 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 336.19 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 84594812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).