N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide

C13H16BrCl2NO2 — CID 114263936

IUPACN-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
SMILESCCN(CCOCCBr)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16BrCl2NO2/c1-2-17(6-8-19-7-5-14)13(18)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8H2,1H3
InChIKeyJCWYNPIYYIONND-UHFFFAOYSA-N
MW369.09 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide

N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide (PubChem CID 114263936) has the molecular formula C13H16BrCl2NO2 and a molecular weight of 369.09 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
PubChem CID114263936
Molecular FormulaC13H16BrCl2NO2
Molecular Weight369.09 g/mol
Exact Mass366.97
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
SMILESCCN(CCOCCBr)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16BrCl2NO2/c1-2-17(6-8-19-7-5-14)13(18)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8H2,1H3
InChIKeyJCWYNPIYYIONND-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.09
LogP ≤ 53.87
H-Bond Donors ≤ 50
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-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide 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-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
CID 114242843
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide
CID 114263913
N-[2-(2-bromoethoxy)ethyl]-4-chloro-N,2-dimethylbenzamide
CID 114242797
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
CID 114263894
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
5-chloro-N-ethyl-N-(2-methoxyethyl)-2-(methylamino)benzamide
CID 55046766
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide (CID 114263936) is N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide is CCN(CCOCCBr)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide?
The InChIKey is JCWYNPIYYIONND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO2/c1-2-17(6-8-19-7-5-14)13(18)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8H2,1H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide?
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide has a molecular weight of 369.09 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide is sourced from PubChem (CID 114263936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).