2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide

C17H20BrNO2 — CID 1034200

IUPAC2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(OC)ccc2cc(Br)ccc12
InChIInChI=1S/C17H20BrNO2/c1-4-19(5-2)17(20)11-15-14-8-7-13(18)10-12(14)6-9-16(15)21-3/h6-10H,4-5,11H2,1-3H3
InChIKeyOENFHXGQOZLNQL-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.02
Rot. Bonds5

About 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide

2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide (PubChem CID 1034200) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
PubChem CID1034200
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(OC)ccc2cc(Br)ccc12
InChIInChI=1S/C17H20BrNO2/c1-4-19(5-2)17(20)11-15-14-8-7-13(18)10-12(14)6-9-16(15)21-3/h6-10H,4-5,11H2,1-3H3
InChIKeyOENFHXGQOZLNQL-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 2234260
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
CID 4864831
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
CID 4729727
6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
CID 70197174
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
CID 4729784
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 4729780
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925413
5-[(6-bromo-2-methoxynaphthalen-1-yl)methylamino]-5-oxopentanoic acid
CID 3484079
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,4-dimethyl-6-nitrophenyl)acetamide
CID 4729731
N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide
CID 3480217

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide (CID 1034200) is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cc1c(OC)ccc2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide?
The InChIKey is OENFHXGQOZLNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-19(5-2)17(20)11-15-14-8-7-13(18)10-12(14)6-9-16(15)21-3/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide?
2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide has a molecular weight of 350.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 1034200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).