2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide

C12H15Br2NO3 — CID 104920678

IUPAC2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
SMILESO=C(NCCCOCCO)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO3/c13-9-2-3-11(14)10(8-9)12(17)15-4-1-6-18-7-5-16/h2-3,8,16H,1,4-7H2,(H,15,17)
InChIKeyHGLMJTGUHACSEB-UHFFFAOYSA-N
MW381.06 g/mol
LogP2.34
Rot. Bonds7

About 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide

2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide (PubChem CID 104920678) has the molecular formula C12H15Br2NO3 and a molecular weight of 381.06 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
PubChem CID104920678
Molecular FormulaC12H15Br2NO3
Molecular Weight381.06 g/mol
Exact Mass378.94
IUPAC Name2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
SMILESO=C(NCCCOCCO)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO3/c13-9-2-3-11(14)10(8-9)12(17)15-4-1-6-18-7-5-16/h2-3,8,16H,1,4-7H2,(H,15,17)
InChIKeyHGLMJTGUHACSEB-UHFFFAOYSA-N
XLogP2.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.06
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide (CID 104920678) is 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide is O=C(NCCCOCCO)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The InChIKey is HGLMJTGUHACSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO3/c13-9-2-3-11(14)10(8-9)12(17)15-4-1-6-18-7-5-16/h2-3,8,16H,1,4-7H2,(H,15,17).
What are the key properties of 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide?
2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide has a molecular weight of 381.06 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide is sourced from PubChem (CID 104920678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).