2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide

C16H15BrN2O2 — CID 60645400

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H15BrN2O2/c1-19(10-4-9-18)15(20)11-21-14-8-7-12-5-2-3-6-13(12)16(14)17/h2-3,5-8H,4,10-11H2,1H3
InChIKeyRERBMYRPHXMSIF-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.35
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 60645400) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID60645400
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H15BrN2O2/c1-19(10-4-9-18)15(20)11-21-14-8-7-12-5-2-3-6-13(12)16(14)17/h2-3,5-8H,4,10-11H2,1H3
InChIKeyRERBMYRPHXMSIF-UHFFFAOYSA-N
XLogP3.35
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
CID 39949555
2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 43384578
2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 43243799
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 112774907
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365
3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380366
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8017896
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 60645385
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 112774909

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide (CID 60645400) is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide is CN(CCC#N)C(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is RERBMYRPHXMSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-19(10-4-9-18)15(20)11-21-14-8-7-12-5-2-3-6-13(12)16(14)17/h2-3,5-8H,4,10-11H2,1H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 347.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 60645400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).