2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide

C16H18BrNO2 — CID 668313

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H18BrNO2/c1-3-18(4-2)15(19)11-20-14-10-9-12-7-5-6-8-13(12)16(14)17/h5-10H,3-4,11H2,1-2H3
InChIKeyLIUAQWVCLGYQCC-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.85
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide

2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide (PubChem CID 668313) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide
PubChem CID668313
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H18BrNO2/c1-3-18(4-2)15(19)11-20-14-10-9-12-7-5-6-8-13(12)16(14)17/h5-10H,3-4,11H2,1-2H3
InChIKeyLIUAQWVCLGYQCC-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide (CID 668313) is 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide?
The InChIKey is LIUAQWVCLGYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-3-18(4-2)15(19)11-20-14-10-9-12-7-5-6-8-13(12)16(14)17/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide?
2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide has a molecular weight of 336.23 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N,N-diethylacetamide is sourced from PubChem (CID 668313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).