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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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).