N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide

C15H16BrNO2 — CID 12985488

IUPACN-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(Br)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H16BrNO2/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyDALDAAWMVJDLJA-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.29
Rot. Bonds4

About N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 12985488) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID12985488
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(Br)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H16BrNO2/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyDALDAAWMVJDLJA-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
N-[2-[7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethyl]acetamide
CID 175436340
N-[2-(7-methoxy-3-morpholin-4-ylnaphthalen-1-yl)ethyl]acetamide
CID 57381332
N-[2-[7-methoxy-3-[3-(methylamino)phenyl]naphthalen-1-yl]ethyl]acetamide
CID 44579115
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide
CID 162686325
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 12985488) is N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cc(Br)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is DALDAAWMVJDLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 322.20 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 12985488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).