2,4-dibromo-3,5-difluorobenzamide

C7H3Br2F2NO — CID 119007128

IUPAC2,4-dibromo-3,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(Br)c(F)c1Br
InChIInChI=1S/C7H3Br2F2NO/c8-4-2(7(12)13)1-3(10)5(9)6(4)11/h1H,(H2,12,13)
InChIKeyCWBBHDJJZMWSOO-UHFFFAOYSA-N
MW314.91 g/mol
LogP2.59
Rot. Bonds1

About 2,4-dibromo-3,5-difluorobenzamide

2,4-dibromo-3,5-difluorobenzamide (PubChem CID 119007128) has the molecular formula C7H3Br2F2NO and a molecular weight of 314.91 g/mol. Its IUPAC name is 2,4-dibromo-3,5-difluorobenzamide.

Molecular Properties

Compound Name2,4-dibromo-3,5-difluorobenzamide
PubChem CID119007128
Molecular FormulaC7H3Br2F2NO
Molecular Weight314.91 g/mol
Exact Mass312.85
IUPAC Name2,4-dibromo-3,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(Br)c(F)c1Br
InChIInChI=1S/C7H3Br2F2NO/c8-4-2(7(12)13)1-3(10)5(9)6(4)11/h1H,(H2,12,13)
InChIKeyCWBBHDJJZMWSOO-UHFFFAOYSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,5-difluorobenzamide
CID 53418047
2,3-dibromo-5-fluorobenzamide
CID 119023969
2-bromo-3-fluoro-5-nitrobenzamide
CID 130980263
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
2,3,5-trifluorobenzene-1,4-dicarboxamide
CID 87161201
2-bromo-4-chloro-3-fluorobenzamide
CID 89499969
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
2-amino-4,5-difluorobenzamide
CID 16640510
methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
4-bromo-3-chloro-5-fluorobenzamide
CID 130977761
5-bromo-2-fluoro-4-iodobenzamide
CID 164523655

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3,5-difluorobenzamide?
The IUPAC name of 2,4-dibromo-3,5-difluorobenzamide (CID 119007128) is 2,4-dibromo-3,5-difluorobenzamide.
What is the SMILES notation for 2,4-dibromo-3,5-difluorobenzamide?
The canonical SMILES for 2,4-dibromo-3,5-difluorobenzamide is NC(=O)c1cc(F)c(Br)c(F)c1Br.
What is the InChIKey of 2,4-dibromo-3,5-difluorobenzamide?
The InChIKey is CWBBHDJJZMWSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F2NO/c8-4-2(7(12)13)1-3(10)5(9)6(4)11/h1H,(H2,12,13).
What are the key properties of 2,4-dibromo-3,5-difluorobenzamide?
2,4-dibromo-3,5-difluorobenzamide has a molecular weight of 314.91 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3,5-difluorobenzamide is sourced from PubChem (CID 119007128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).