2,3-dibromo-5-fluorobenzamide

C7H4Br2FNO — CID 119023969

IUPAC2,3-dibromo-5-fluorobenzamide
SMILESNC(=O)c1cc(F)cc(Br)c1Br
InChIInChI=1S/C7H4Br2FNO/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H2,11,12)
InChIKeyYHTUYRBXSIAITE-UHFFFAOYSA-N
MW296.92 g/mol
LogP2.45
Rot. Bonds1

About 2,3-dibromo-5-fluorobenzamide

2,3-dibromo-5-fluorobenzamide (PubChem CID 119023969) has the molecular formula C7H4Br2FNO and a molecular weight of 296.92 g/mol. Its IUPAC name is 2,3-dibromo-5-fluorobenzamide.

Molecular Properties

Compound Name2,3-dibromo-5-fluorobenzamide
PubChem CID119023969
Molecular FormulaC7H4Br2FNO
Molecular Weight296.92 g/mol
Exact Mass294.86
IUPAC Name2,3-dibromo-5-fluorobenzamide
SMILESNC(=O)c1cc(F)cc(Br)c1Br
InChIInChI=1S/C7H4Br2FNO/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H2,11,12)
InChIKeyYHTUYRBXSIAITE-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.92
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-3,5-difluorobenzamide
CID 119007128
4-bromo-2,5-difluorobenzamide
CID 53418047
2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
5-fluoro-2,3-dimethylbenzamide
CID 118990937
3-amino-1-(3-bromo-2,5-difluorophenyl)propan-1-one
CID 117414290
5-bromo-2-fluoro-4-iodobenzamide
CID 164523655
1-(3-bromo-5-fluoro-2-iodophenyl)ethanone
CID 131366424
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
2-bromo-3-fluoro-5-nitrobenzamide
CID 130980263
4-bromo-6-fluoro-1H-indole-2-carboxamide
CID 146302018
2-(3-bromo-5-fluoro-2-methylphenyl)-2-oxoacetic acid
CID 117406309
(2-bromo-4,6-difluorophenyl)urea
CID 43347715

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-fluorobenzamide?
The IUPAC name of 2,3-dibromo-5-fluorobenzamide (CID 119023969) is 2,3-dibromo-5-fluorobenzamide.
What is the SMILES notation for 2,3-dibromo-5-fluorobenzamide?
The canonical SMILES for 2,3-dibromo-5-fluorobenzamide is NC(=O)c1cc(F)cc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-5-fluorobenzamide?
The InChIKey is YHTUYRBXSIAITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2FNO/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H2,11,12).
What are the key properties of 2,3-dibromo-5-fluorobenzamide?
2,3-dibromo-5-fluorobenzamide has a molecular weight of 296.92 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-fluorobenzamide is sourced from PubChem (CID 119023969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).