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

C12H14BrCl2NO2 — CID 114242843

IUPACN-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
SMILESCN(CCOCCBr)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14BrCl2NO2/c1-16(5-7-18-6-4-13)12(17)10-3-2-9(14)8-11(10)15/h2-3,8H,4-7H2,1H3
InChIKeyUAWGYJNNNTWQNR-UHFFFAOYSA-N
MW355.06 g/mol
LogP3.48
Rot. Bonds6

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

N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide (PubChem CID 114242843) has the molecular formula C12H14BrCl2NO2 and a molecular weight of 355.06 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
PubChem CID114242843
Molecular FormulaC12H14BrCl2NO2
Molecular Weight355.06 g/mol
Exact Mass352.96
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
SMILESCN(CCOCCBr)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14BrCl2NO2/c1-16(5-7-18-6-4-13)12(17)10-3-2-9(14)8-11(10)15/h2-3,8H,4-7H2,1H3
InChIKeyUAWGYJNNNTWQNR-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.06
LogP ≤ 53.48
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

N-[2-(2-bromoethoxy)ethyl]-4-chloro-N,2-dimethylbenzamide
CID 114242797
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
CID 114263936
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
N-[2-(2-bromoethoxy)ethyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 114242832
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-N,4-dimethylbenzamide
CID 114242808
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
3-bromo-N-[2-(2-bromoethoxy)ethyl]-5-chloro-N-methylbenzamide
CID 114242851
N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 106441252
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide (CID 114242843) is N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide is CN(CCOCCBr)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide?
The InChIKey is UAWGYJNNNTWQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO2/c1-16(5-7-18-6-4-13)12(17)10-3-2-9(14)8-11(10)15/h2-3,8H,4-7H2,1H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide?
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide has a molecular weight of 355.06 g/mol, XLogP of 3.48, 6 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-methylbenzamide is sourced from PubChem (CID 114242843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).