2,4-dibromo-N-(3-propoxypropyl)benzamide

C13H17Br2NO2 — CID 114020100

IUPAC2,4-dibromo-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO2/c1-2-7-18-8-3-6-16-13(17)11-5-4-10(14)9-12(11)15/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyPGRSQIQNROOGCK-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.76
Rot. Bonds7

About 2,4-dibromo-N-(3-propoxypropyl)benzamide

2,4-dibromo-N-(3-propoxypropyl)benzamide (PubChem CID 114020100) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-propoxypropyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-propoxypropyl)benzamide
PubChem CID114020100
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name2,4-dibromo-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO2/c1-2-7-18-8-3-6-16-13(17)11-5-4-10(14)9-12(11)15/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyPGRSQIQNROOGCK-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-propoxypropyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-propoxypropyl)benzamide (CID 114020100) is 2,4-dibromo-N-(3-propoxypropyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-propoxypropyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-propoxypropyl)benzamide is CCCOCCCNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-propoxypropyl)benzamide?
The InChIKey is PGRSQIQNROOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c1-2-7-18-8-3-6-16-13(17)11-5-4-10(14)9-12(11)15/h4-5,9H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 2,4-dibromo-N-(3-propoxypropyl)benzamide?
2,4-dibromo-N-(3-propoxypropyl)benzamide has a molecular weight of 379.09 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-propoxypropyl)benzamide is sourced from PubChem (CID 114020100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).