3,6-difluoro-2-nitrobenzamide

C7H4F2N2O3 — CID 131169296

IUPAC3,6-difluoro-2-nitrobenzamide
SMILESNC(=O)c1c(F)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N2O3/c8-3-1-2-4(9)6(11(13)14)5(3)7(10)12/h1-2H,(H2,10,12)
InChIKeyHWFGOFIFCPVSOW-UHFFFAOYSA-N
MW202.12 g/mol
LogP0.97
Rot. Bonds2

About 3,6-difluoro-2-nitrobenzamide

3,6-difluoro-2-nitrobenzamide (PubChem CID 131169296) has the molecular formula C7H4F2N2O3 and a molecular weight of 202.12 g/mol. Its IUPAC name is 3,6-difluoro-2-nitrobenzamide.

Molecular Properties

Compound Name3,6-difluoro-2-nitrobenzamide
PubChem CID131169296
Molecular FormulaC7H4F2N2O3
Molecular Weight202.12 g/mol
Exact Mass202.02
IUPAC Name3,6-difluoro-2-nitrobenzamide
SMILESNC(=O)c1c(F)ccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N2O3/c8-3-1-2-4(9)6(11(13)14)5(3)7(10)12/h1-2H,(H2,10,12)
InChIKeyHWFGOFIFCPVSOW-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

1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 130953642
2,6-difluoro-3-nitrobenzamide
CID 2780101
2-bromo-1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 131580407
4-fluoro-3-methyl-2-nitrobenzamide
CID 131120224
4-bromo-2,6-difluoro-3-nitrobenzamide
CID 118338248
1-(6-amino-3-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018861
1-(3-amino-6-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018099
1-(3-bromo-6-fluoro-2-nitrophenyl)ethanone
CID 130895586
3-amino-4-fluoro-2-nitrobenzoic acid
CID 122687122
CID 161042703
CID 161042703
(2,4-difluoro-3-nitrophenyl)methanol
CID 118991228
2,4-difluoro-3-nitrobenzoic acid
CID 69257842

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-2-nitrobenzamide?
The IUPAC name of 3,6-difluoro-2-nitrobenzamide (CID 131169296) is 3,6-difluoro-2-nitrobenzamide.
What is the SMILES notation for 3,6-difluoro-2-nitrobenzamide?
The canonical SMILES for 3,6-difluoro-2-nitrobenzamide is NC(=O)c1c(F)ccc(F)c1[N+](=O)[O-].
What is the InChIKey of 3,6-difluoro-2-nitrobenzamide?
The InChIKey is HWFGOFIFCPVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O3/c8-3-1-2-4(9)6(11(13)14)5(3)7(10)12/h1-2H,(H2,10,12).
What are the key properties of 3,6-difluoro-2-nitrobenzamide?
3,6-difluoro-2-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 3,6-difluoro-2-nitrobenzamide is sourced from PubChem (CID 131169296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).