3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide

C13H17Br2NO2 — CID 114242783

IUPAC3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CCOCCBr
InChIInChI=1S/C13H17Br2NO2/c1-10-11(4-3-5-12(10)15)13(17)16(2)7-9-18-8-6-14/h3-5H,6-9H2,1-2H3
InChIKeyUVPSOFCAJCGBGV-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.24
Rot. Bonds6

About 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide

3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide (PubChem CID 114242783) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide
PubChem CID114242783
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CCOCCBr
InChIInChI=1S/C13H17Br2NO2/c1-10-11(4-3-5-12(10)15)13(17)16(2)7-9-18-8-6-14/h3-5H,6-9H2,1-2H3
InChIKeyUVPSOFCAJCGBGV-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.24
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

3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-N,4-dimethylbenzamide
CID 114242808
N-[2-(2-bromoethoxy)ethyl]-4-chloro-N,2-dimethylbenzamide
CID 114242797
3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82829120
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
CID 114242843
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
CID 103896465
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide (CID 114242783) is 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide is Cc1c(Br)cccc1C(=O)N(C)CCOCCBr.
What is the InChIKey of 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide?
The InChIKey is UVPSOFCAJCGBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c1-10-11(4-3-5-12(10)15)13(17)16(2)7-9-18-8-6-14/h3-5H,6-9H2,1-2H3.
What are the key properties of 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide?
3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide has a molecular weight of 379.09 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 114242783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).