2,4-dibromo-N-(2-bromoethyl)benzamide

C9H8Br3NO — CID 107941215

IUPAC2,4-dibromo-N-(2-bromoethyl)benzamide
SMILESO=C(NCCBr)c1ccc(Br)cc1Br
InChIInChI=1S/C9H8Br3NO/c10-3-4-13-9(14)7-2-1-6(11)5-8(7)12/h1-2,5H,3-4H2,(H,13,14)
InChIKeyNNZMTEBROWQCEW-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.34
Rot. Bonds3

About 2,4-dibromo-N-(2-bromoethyl)benzamide

2,4-dibromo-N-(2-bromoethyl)benzamide (PubChem CID 107941215) has the molecular formula C9H8Br3NO and a molecular weight of 385.88 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-bromoethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-bromoethyl)benzamide
PubChem CID107941215
Molecular FormulaC9H8Br3NO
Molecular Weight385.88 g/mol
Exact Mass382.82
IUPAC Name2,4-dibromo-N-(2-bromoethyl)benzamide
SMILESO=C(NCCBr)c1ccc(Br)cc1Br
InChIInChI=1S/C9H8Br3NO/c10-3-4-13-9(14)7-2-1-6(11)5-8(7)12/h1-2,5H,3-4H2,(H,13,14)
InChIKeyNNZMTEBROWQCEW-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
2,4-dibromo-N-pent-3-ynylbenzamide
CID 104581244
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113345159
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 103882820
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-bromoethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-bromoethyl)benzamide (CID 107941215) is 2,4-dibromo-N-(2-bromoethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-bromoethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-bromoethyl)benzamide is O=C(NCCBr)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-bromoethyl)benzamide?
The InChIKey is NNZMTEBROWQCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br3NO/c10-3-4-13-9(14)7-2-1-6(11)5-8(7)12/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 2,4-dibromo-N-(2-bromoethyl)benzamide?
2,4-dibromo-N-(2-bromoethyl)benzamide has a molecular weight of 385.88 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-bromoethyl)benzamide is sourced from PubChem (CID 107941215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).