N-(5-chloropentyl)-2-naphthalen-1-ylacetamide

C17H20ClNO — CID 107321302

IUPACN-(5-chloropentyl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCCCCl
InChIInChI=1S/C17H20ClNO/c18-11-4-1-5-12-19-17(20)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10H,1,4-5,11-13H2,(H,19,20)
InChIKeyXNAFBTJUSWVABN-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.91
Rot. Bonds7

About N-(5-chloropentyl)-2-naphthalen-1-ylacetamide

N-(5-chloropentyl)-2-naphthalen-1-ylacetamide (PubChem CID 107321302) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-naphthalen-1-ylacetamide
PubChem CID107321302
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-(5-chloropentyl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCCCCl
InChIInChI=1S/C17H20ClNO/c18-11-4-1-5-12-19-17(20)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10H,1,4-5,11-13H2,(H,19,20)
InChIKeyXNAFBTJUSWVABN-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.91
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

2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
CID 10000946
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(5-chloropentyl)-2-naphthalen-1-ylacetamide (CID 107321302) is N-(5-chloropentyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(5-chloropentyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(5-chloropentyl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-2-naphthalen-1-ylacetamide?
The InChIKey is XNAFBTJUSWVABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-11-4-1-5-12-19-17(20)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10H,1,4-5,11-13H2,(H,19,20).
What are the key properties of N-(5-chloropentyl)-2-naphthalen-1-ylacetamide?
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide has a molecular weight of 289.81 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 107321302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).