4-bromo-2,5-difluorobenzamide

C7H4BrF2NO — CID 53418047

IUPAC4-bromo-2,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(Br)cc1F
InChIInChI=1S/C7H4BrF2NO/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H2,11,12)
InChIKeyQEXQXWQSPGXPDH-UHFFFAOYSA-N
MW236.01 g/mol
LogP1.83
Rot. Bonds1

About 4-bromo-2,5-difluorobenzamide

4-bromo-2,5-difluorobenzamide (PubChem CID 53418047) has the molecular formula C7H4BrF2NO and a molecular weight of 236.01 g/mol. Its IUPAC name is 4-bromo-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-2,5-difluorobenzamide
PubChem CID53418047
Molecular FormulaC7H4BrF2NO
Molecular Weight236.01 g/mol
Exact Mass234.94
IUPAC Name4-bromo-2,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(Br)cc1F
InChIInChI=1S/C7H4BrF2NO/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H2,11,12)
InChIKeyQEXQXWQSPGXPDH-UHFFFAOYSA-N
XLogP1.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 51.83
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

4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
5-bromo-2-fluoro-4-iodobenzamide
CID 164523655
2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463
(3-amino-2,5-difluorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 107123714
2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
2,4-dibromo-3,5-difluorobenzamide
CID 119007128
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 114024411
1-(4-bromo-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84807262
ethyl 2,5-dibromo-4-fluorobenzoate
CID 79016537
2,4-difluorobenzamide;dihydrochloride
CID 22032026
2-fluoro-5-hydroxybenzamide
CID 59402772
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluorobenzamide?
The IUPAC name of 4-bromo-2,5-difluorobenzamide (CID 53418047) is 4-bromo-2,5-difluorobenzamide.
What is the SMILES notation for 4-bromo-2,5-difluorobenzamide?
The canonical SMILES for 4-bromo-2,5-difluorobenzamide is NC(=O)c1cc(F)c(Br)cc1F.
What is the InChIKey of 4-bromo-2,5-difluorobenzamide?
The InChIKey is QEXQXWQSPGXPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H2,11,12).
What are the key properties of 4-bromo-2,5-difluorobenzamide?
4-bromo-2,5-difluorobenzamide has a molecular weight of 236.01 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-difluorobenzamide is sourced from PubChem (CID 53418047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).