3,6-dibromo-2-fluorobenzamide

C7H4Br2FNO — CID 121228046

IUPAC3,6-dibromo-2-fluorobenzamide
SMILESNC(=O)c1c(Br)ccc(Br)c1F
InChIInChI=1S/C7H4Br2FNO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12)
InChIKeyVVXGLYRUJJQYJH-UHFFFAOYSA-N
MW296.92 g/mol
LogP2.45
Rot. Bonds1

About 3,6-dibromo-2-fluorobenzamide

3,6-dibromo-2-fluorobenzamide (PubChem CID 121228046) has the molecular formula C7H4Br2FNO and a molecular weight of 296.92 g/mol. Its IUPAC name is 3,6-dibromo-2-fluorobenzamide.

Molecular Properties

Compound Name3,6-dibromo-2-fluorobenzamide
PubChem CID121228046
Molecular FormulaC7H4Br2FNO
Molecular Weight296.92 g/mol
Exact Mass294.86
IUPAC Name3,6-dibromo-2-fluorobenzamide
SMILESNC(=O)c1c(Br)ccc(Br)c1F
InChIInChI=1S/C7H4Br2FNO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12)
InChIKeyVVXGLYRUJJQYJH-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

3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
6-bromo-3-chloro-2-fluorobenzoyl chloride
CID 83409619
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130868467
1-[3-bromo-6-(difluoromethyl)-2-fluorophenyl]ethanone
CID 131278161
6-bromo-3-chloro-2-fluorobenzenecarbothioamide
CID 83409721
2-amino-4-bromo-3,5,6-trifluorobenzamide
CID 164875926
3-bromo-6-fluorophthalic acid
CID 164890532
1-(3-bromo-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 106941670
1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone
CID 171016467

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2-fluorobenzamide?
The IUPAC name of 3,6-dibromo-2-fluorobenzamide (CID 121228046) is 3,6-dibromo-2-fluorobenzamide.
What is the SMILES notation for 3,6-dibromo-2-fluorobenzamide?
The canonical SMILES for 3,6-dibromo-2-fluorobenzamide is NC(=O)c1c(Br)ccc(Br)c1F.
What is the InChIKey of 3,6-dibromo-2-fluorobenzamide?
The InChIKey is VVXGLYRUJJQYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2FNO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12).
What are the key properties of 3,6-dibromo-2-fluorobenzamide?
3,6-dibromo-2-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 3,6-dibromo-2-fluorobenzamide is sourced from PubChem (CID 121228046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).