N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C15H20ClNO2 — CID 113272066

IUPACN-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOCC(Cl)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H20ClNO2/c1-19-10-12(16)9-17-15(18)14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14H,4,6,8-10H2,1H3,(H,17,18)
InChIKeyRFCBQTRBGGIYCL-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.48
Rot. Bonds5

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

N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 113272066) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID113272066
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOCC(Cl)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H20ClNO2/c1-19-10-12(16)9-17-15(18)14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14H,4,6,8-10H2,1H3,(H,17,18)
InChIKeyRFCBQTRBGGIYCL-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.48
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

N-(2-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113496484
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103799339
(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39977633
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-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002068
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 113272066) is N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COCC(Cl)CNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is RFCBQTRBGGIYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-10-12(16)9-17-15(18)14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14H,4,6,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 113272066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).