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

C15H16BrNO2 — CID 3071636

IUPAC2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(=O)CBr)c2c1
InChIInChI=1S/C15H16BrNO2/c1-19-13-6-5-11-3-2-4-12(14(11)9-13)7-8-17-15(18)10-16/h2-6,9H,7-8,10H2,1H3,(H,17,18)
InChIKeyHRZANPMSVAGALW-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.90
Rot. Bonds5

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

2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 3071636) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID3071636
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(=O)CBr)c2c1
InChIInChI=1S/C15H16BrNO2/c1-19-13-6-5-11-3-2-4-12(14(11)9-13)7-8-17-15(18)10-16/h2-6,9H,7-8,10H2,1H3,(H,17,18)
InChIKeyHRZANPMSVAGALW-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 3071636) is 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cccc(CCNC(=O)CBr)c2c1.
What is the InChIKey of 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is HRZANPMSVAGALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-19-13-6-5-11-3-2-4-12(14(11)9-13)7-8-17-15(18)10-16/h2-6,9H,7-8,10H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 322.20 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 3071636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).