4-bromo-2,6-difluoro-3-nitrobenzamide

C7H3BrF2N2O3 — CID 118338248

IUPAC4-bromo-2,6-difluoro-3-nitrobenzamide
SMILESNC(=O)c1c(F)cc(Br)c([N+](=O)[O-])c1F
InChIInChI=1S/C7H3BrF2N2O3/c8-2-1-3(9)4(7(11)13)5(10)6(2)12(14)15/h1H,(H2,11,13)
InChIKeyKOEMGYBWDKVOAL-UHFFFAOYSA-N
MW281.01 g/mol
LogP1.73
Rot. Bonds2

About 4-bromo-2,6-difluoro-3-nitrobenzamide

4-bromo-2,6-difluoro-3-nitrobenzamide (PubChem CID 118338248) has the molecular formula C7H3BrF2N2O3 and a molecular weight of 281.01 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-3-nitrobenzamide
PubChem CID118338248
Molecular FormulaC7H3BrF2N2O3
Molecular Weight281.01 g/mol
Exact Mass279.93
IUPAC Name4-bromo-2,6-difluoro-3-nitrobenzamide
SMILESNC(=O)c1c(F)cc(Br)c([N+](=O)[O-])c1F
InChIInChI=1S/C7H3BrF2N2O3/c8-2-1-3(9)4(7(11)13)5(10)6(2)12(14)15/h1H,(H2,11,13)
InChIKeyKOEMGYBWDKVOAL-UHFFFAOYSA-N
XLogP1.73
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.01
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,6-difluoro-2-nitrobenzamide
CID 131169296
3-bromo-2,5-difluoro-6-nitroaniline
CID 142620682
2,6-difluoro-3-nitrobenzamide
CID 2780101
3-bromo-5-methyl-2-nitrobenzamide
CID 130924275
2-amino-6-bromo-4-fluoro-3-nitrophenol
CID 90409818
2-fluoro-6-methyl-4-nitrobenzamide
CID 130969161
2,5-difluoro-4-methyl-3-nitrobenzamide
CID 169268617
3-bromo-5-fluoro-2-nitro-6-(trifluoromethyl)aniline
CID 118338194
2,3,5-trifluorobenzene-1,4-dicarboxamide
CID 87161201
3-bromo-2,6-dichloro-5-fluorobenzamide
CID 141400879
3-bromo-2-nitro-5-(trifluoromethyl)aniline
CID 99770461
4-bromo-6-fluoro-3-methyl-2-nitroaniline
CID 130562796

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of 4-bromo-2,6-difluoro-3-nitrobenzamide (CID 118338248) is 4-bromo-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-3-nitrobenzamide is NC(=O)c1c(F)cc(Br)c([N+](=O)[O-])c1F.
What is the InChIKey of 4-bromo-2,6-difluoro-3-nitrobenzamide?
The InChIKey is KOEMGYBWDKVOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O3/c8-2-1-3(9)4(7(11)13)5(10)6(2)12(14)15/h1H,(H2,11,13).
What are the key properties of 4-bromo-2,6-difluoro-3-nitrobenzamide?
4-bromo-2,6-difluoro-3-nitrobenzamide has a molecular weight of 281.01 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 118338248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).