2,6-difluoro-3-nitrobenzamide

C7H4F2N2O3 — CID 2780101

IUPAC2,6-difluoro-3-nitrobenzamide
SMILESNC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C7H4F2N2O3/c8-3-1-2-4(11(13)14)6(9)5(3)7(10)12/h1-2H,(H2,10,12)
InChIKeyGJMBOZSWKMBYGA-UHFFFAOYSA-N
MW202.12 g/mol
LogP0.97
Rot. Bonds2

About 2,6-difluoro-3-nitrobenzamide

2,6-difluoro-3-nitrobenzamide (PubChem CID 2780101) has the molecular formula C7H4F2N2O3 and a molecular weight of 202.12 g/mol. Its IUPAC name is 2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound Name2,6-difluoro-3-nitrobenzamide
PubChem CID2780101
Molecular FormulaC7H4F2N2O3
Molecular Weight202.12 g/mol
Exact Mass202.02
IUPAC Name2,6-difluoro-3-nitrobenzamide
SMILESNC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C7H4F2N2O3/c8-3-1-2-4(11(13)14)6(9)5(3)7(10)12/h1-2H,(H2,10,12)
InChIKeyGJMBOZSWKMBYGA-UHFFFAOYSA-N
XLogP0.97
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 50.97
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

2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79755848
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide
CID 79768181
3,6-difluoro-2-nitrobenzamide
CID 131169296
N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
CID 103740689
3-(2,6-difluoro-3-nitrophenyl)-3-oxopropanoic acid
CID 170887010
2,6-difluoro-3-nitrobenzoyl isocyanate
CID 23038946
(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 79773761
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2,6-difluoro-3-nitrobenzamide
CID 106096207
(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone
CID 2781778
1-(2,6-difluoro-3-nitrophenyl)-2-methylsulfanylethanone
CID 79773473
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,6-difluoro-3-nitrobenzamide
CID 103740040

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-nitrobenzamide?
The IUPAC name of 2,6-difluoro-3-nitrobenzamide (CID 2780101) is 2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for 2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for 2,6-difluoro-3-nitrobenzamide is NC(=O)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-3-nitrobenzamide?
The InChIKey is GJMBOZSWKMBYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O3/c8-3-1-2-4(11(13)14)6(9)5(3)7(10)12/h1-2H,(H2,10,12).
What are the key properties of 2,6-difluoro-3-nitrobenzamide?
2,6-difluoro-3-nitrobenzamide has a molecular weight of 202.12 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 2780101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).