N-(3-bromopropyl)-2-naphthalen-1-ylacetamide

C15H16BrNO — CID 43246333

IUPACN-(3-bromopropyl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCBr
InChIInChI=1S/C15H16BrNO/c16-9-4-10-17-15(18)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2,(H,17,18)
InChIKeyVJQKFIPGLHIOBE-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.28
Rot. Bonds5

About N-(3-bromopropyl)-2-naphthalen-1-ylacetamide

N-(3-bromopropyl)-2-naphthalen-1-ylacetamide (PubChem CID 43246333) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-naphthalen-1-ylacetamide
PubChem CID43246333
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-(3-bromopropyl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCBr
InChIInChI=1S/C15H16BrNO/c16-9-4-10-17-15(18)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2,(H,17,18)
InChIKeyVJQKFIPGLHIOBE-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
CID 10000946
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740
N-(3,3-diphenylpropyl)-2-naphthalen-1-ylacetamide
CID 7935580
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9089883

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(3-bromopropyl)-2-naphthalen-1-ylacetamide (CID 43246333) is N-(3-bromopropyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(3-bromopropyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(3-bromopropyl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-2-naphthalen-1-ylacetamide?
The InChIKey is VJQKFIPGLHIOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-9-4-10-17-15(18)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2,(H,17,18).
What are the key properties of N-(3-bromopropyl)-2-naphthalen-1-ylacetamide?
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide has a molecular weight of 306.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 43246333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).