2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide

C13H16Br2ClNO2 — CID 114263894

IUPAC2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
SMILESCCN(CCOCCCl)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2ClNO2/c1-2-17(6-8-19-7-5-16)13(18)11-4-3-10(14)9-12(11)15/h3-4,9H,2,5-8H2,1H3
InChIKeySSUUAEPUYGNYHS-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.93
Rot. Bonds7

About 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide

2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide (PubChem CID 114263894) has the molecular formula C13H16Br2ClNO2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
PubChem CID114263894
Molecular FormulaC13H16Br2ClNO2
Molecular Weight413.54 g/mol
Exact Mass410.92
IUPAC Name2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
SMILESCCN(CCOCCCl)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2ClNO2/c1-2-17(6-8-19-7-5-16)13(18)11-4-3-10(14)9-12(11)15/h3-4,9H,2,5-8H2,1H3
InChIKeySSUUAEPUYGNYHS-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.93
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'}

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Related Compounds

4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077
5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
CID 82960004
4-bromo-N,N-bis(2-ethoxyethyl)-2-sulfanylbenzamide
CID 107033845
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
2,4-dibromo-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 114018643
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
CID 114263936
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
CID 114263891
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952088

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide?
The IUPAC name of 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide (CID 114263894) is 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide is CCN(CCOCCCl)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide?
The InChIKey is SSUUAEPUYGNYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2ClNO2/c1-2-17(6-8-19-7-5-16)13(18)11-4-3-10(14)9-12(11)15/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide?
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide has a molecular weight of 413.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide is sourced from PubChem (CID 114263894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).