N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H22ClNO2 — CID 106306525

IUPACN-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCOCCCl)C1CCc2ccccc2C1
InChIInChI=1S/C16H22ClNO2/c17-8-11-20-10-3-9-18-16(19)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15H,3,6-12H2,(H,18,19)
InChIKeyJMIVHBIHDHKOPJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.55
Rot. Bonds7

About N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 106306525) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID106306525
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCOCCCl)C1CCc2ccccc2C1
InChIInChI=1S/C16H22ClNO2/c17-8-11-20-10-3-9-18-16(19)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15H,3,6-12H2,(H,18,19)
InChIKeyJMIVHBIHDHKOPJ-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
N-[3-(2-chloroethoxy)propyl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106306965
N-(4,4-diethoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66937672
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106305884
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127313
N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
CID 106307018
N-[2-(2-chloroethoxy)ethyl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 114297799
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 106306525) is N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCCCOCCCl)C1CCc2ccccc2C1.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is JMIVHBIHDHKOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-8-11-20-10-3-9-18-16(19)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15H,3,6-12H2,(H,18,19).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 106306525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).