2,5-difluoro-N-hydroxy-3-nitrobenzamide

C7H4F2N2O4 — CID 107122467

IUPAC2,5-difluoro-N-hydroxy-3-nitrobenzamide
SMILESO=C(NO)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C7H4F2N2O4/c8-3-1-4(7(12)10-13)6(9)5(2-3)11(14)15/h1-2,13H,(H,10,12)
InChIKeyTWMVQFAYSZBBPA-UHFFFAOYSA-N
MW218.11 g/mol
LogP0.99
Rot. Bonds2

About 2,5-difluoro-N-hydroxy-3-nitrobenzamide

2,5-difluoro-N-hydroxy-3-nitrobenzamide (PubChem CID 107122467) has the molecular formula C7H4F2N2O4 and a molecular weight of 218.11 g/mol. Its IUPAC name is 2,5-difluoro-N-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-hydroxy-3-nitrobenzamide
PubChem CID107122467
Molecular FormulaC7H4F2N2O4
Molecular Weight218.11 g/mol
Exact Mass218.01
IUPAC Name2,5-difluoro-N-hydroxy-3-nitrobenzamide
SMILESO=C(NO)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C7H4F2N2O4/c8-3-1-4(7(12)10-13)6(9)5(2-3)11(14)15/h1-2,13H,(H,10,12)
InChIKeyTWMVQFAYSZBBPA-UHFFFAOYSA-N
XLogP0.99
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-3-nitrobenzoic acid
CID 15622527
2,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180625
N-(2-aminoethyl)-2,5-difluoro-3-nitrobenzamide
CID 107121636
N-(2-bromoethyl)-2,5-difluoro-3-nitrobenzamide
CID 107122528
2,5-difluoro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317184
N-(2,2-dimethylcyclopropyl)-2,5-difluoro-3-nitrobenzamide
CID 107122006
N-(2-cyanopropan-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107122425
N-(1-amino-1-oxopropan-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107121809
N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
CID 107121691
N-(3-bromo-2-methylbutan-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107123556
N-(2,3-dimethylbutyl)-2,5-difluoro-3-nitrobenzamide
CID 107122121
2,5-difluoro-N-(2-methylpentan-2-yl)-3-nitrobenzamide
CID 107122287

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-hydroxy-3-nitrobenzamide?
The IUPAC name of 2,5-difluoro-N-hydroxy-3-nitrobenzamide (CID 107122467) is 2,5-difluoro-N-hydroxy-3-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-N-hydroxy-3-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-N-hydroxy-3-nitrobenzamide is O=C(NO)c1cc(F)cc([N+](=O)[O-])c1F.
What is the InChIKey of 2,5-difluoro-N-hydroxy-3-nitrobenzamide?
The InChIKey is TWMVQFAYSZBBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O4/c8-3-1-4(7(12)10-13)6(9)5(2-3)11(14)15/h1-2,13H,(H,10,12).
What are the key properties of 2,5-difluoro-N-hydroxy-3-nitrobenzamide?
2,5-difluoro-N-hydroxy-3-nitrobenzamide has a molecular weight of 218.11 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 107122467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).