N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C16H22ClNO — CID 113496484

IUPACN-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCCC(Cl)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C16H22ClNO/c1-2-6-13(17)11-18-16(19)15-10-5-8-12-7-3-4-9-14(12)15/h3-4,7,9,13,15H,2,5-6,8,10-11H2,1H3,(H,18,19)
InChIKeyHKHJBLDQVAEQQK-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.63
Rot. Bonds5

About N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 113496484) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID113496484
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCCC(Cl)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C16H22ClNO/c1-2-6-13(17)11-18-16(19)15-10-5-8-12-7-3-4-9-14(12)15/h3-4,7,9,13,15H,2,5-6,8,10-11H2,1H3,(H,18,19)
InChIKeyHKHJBLDQVAEQQK-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113272066
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39977633
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46434571
N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
2-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoic acid
CID 79792733

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 113496484) is N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCCC(Cl)CNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is HKHJBLDQVAEQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-6-13(17)11-18-16(19)15-10-5-8-12-7-3-4-9-14(12)15/h3-4,7,9,13,15H,2,5-6,8,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 279.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 113496484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).