2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide

C11H13Br2NO2 — CID 114309215

IUPAC2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide
SMILESO=C(NCCOCCBr)c1ccccc1Br
InChIInChI=1S/C11H13Br2NO2/c12-5-7-16-8-6-14-11(15)9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,14,15)
InChIKeyRDEOWMFLVFSMGY-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.59
Rot. Bonds6

About 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide

2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide (PubChem CID 114309215) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide
PubChem CID114309215
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide
SMILESO=C(NCCOCCBr)c1ccccc1Br
InChIInChI=1S/C11H13Br2NO2/c12-5-7-16-8-6-14-11(15)9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,14,15)
InChIKeyRDEOWMFLVFSMGY-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.59
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'}

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide
CID 114309236
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
2-[2-[(2-bromobenzoyl)amino]ethoxy]propanoic acid
CID 110495130
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
N-[2-(2-bromoethoxy)ethyl]-3-methyl-2-nitrobenzamide
CID 114309493
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide (CID 114309215) is 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide is O=C(NCCOCCBr)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide?
The InChIKey is RDEOWMFLVFSMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c12-5-7-16-8-6-14-11(15)9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,14,15).
What are the key properties of 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide?
2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide has a molecular weight of 351.04 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide is sourced from PubChem (CID 114309215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).