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

C15H16BrNO2 — CID 19021879

IUPAC2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide
SMILESCOc1ccc2ccc(CCNC(=O)CBr)cc2c1
InChIInChI=1S/C15H16BrNO2/c1-19-14-5-4-12-3-2-11(8-13(12)9-14)6-7-17-15(18)10-16/h2-5,8-9H,6-7,10H2,1H3,(H,17,18)
InChIKeyMADIXMXQEXDHMT-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.90
Rot. Bonds5

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

2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide (PubChem CID 19021879) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide
PubChem CID19021879
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide
SMILESCOc1ccc2ccc(CCNC(=O)CBr)cc2c1
InChIInChI=1S/C15H16BrNO2/c1-19-14-5-4-12-3-2-11(8-13(12)9-14)6-7-17-15(18)10-16/h2-5,8-9H,6-7,10H2,1H3,(H,17,18)
InChIKeyMADIXMXQEXDHMT-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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Related Compounds

4-fluoro-N-[2-(7-methoxynaphthalen-2-yl)ethyl]benzamide
CID 19021877
N-[2-(7-methoxynaphthalen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 19021896
N-[2-(7-methoxynaphthalen-2-yl)ethyl]-2-oxo-1,5-dihydroimidazole-4-carboxamide
CID 19021874
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide (CID 19021879) is 2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide is COc1ccc2ccc(CCNC(=O)CBr)cc2c1.
What is the InChIKey of 2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide?
The InChIKey is MADIXMXQEXDHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-19-14-5-4-12-3-2-11(8-13(12)9-14)6-7-17-15(18)10-16/h2-5,8-9H,6-7,10H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide?
2-bromo-N-[2-(7-methoxynaphthalen-2-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-2-yl)ethyl]acetamide is sourced from PubChem (CID 19021879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).