2-fluoro-4-nitro-N-oxobenzamide

C7H3FN2O4 — CID 89146767

IUPAC2-fluoro-4-nitro-N-oxobenzamide
SMILESO=NC(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C7H3FN2O4/c8-6-3-4(10(13)14)1-2-5(6)7(11)9-12/h1-3H
InChIKeyALJQZVLLXQEQON-UHFFFAOYSA-N
MW198.11 g/mol
LogP1.64
Rot. Bonds2

About 2-fluoro-4-nitro-N-oxobenzamide

2-fluoro-4-nitro-N-oxobenzamide (PubChem CID 89146767) has the molecular formula C7H3FN2O4 and a molecular weight of 198.11 g/mol. Its IUPAC name is 2-fluoro-4-nitro-N-oxobenzamide.

Molecular Properties

Compound Name2-fluoro-4-nitro-N-oxobenzamide
PubChem CID89146767
Molecular FormulaC7H3FN2O4
Molecular Weight198.11 g/mol
Exact Mass198.01
IUPAC Name2-fluoro-4-nitro-N-oxobenzamide
SMILESO=NC(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C7H3FN2O4/c8-6-3-4(10(13)14)1-2-5(6)7(11)9-12/h1-3H
InChIKeyALJQZVLLXQEQON-UHFFFAOYSA-N
XLogP1.64
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoro-4-nitrobenzoyl chloride
CID 10420435
2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide
CID 142761632
3-(2-fluoro-4-nitrophenyl)-3-oxopropanoic acid
CID 67768369
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
2,3-dimethylbutanoyl 2-fluoro-4-nitrobenzoate
CID 174851123
(2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 54980290
N-(5-bromopentan-2-yl)-2-fluoro-4-nitrobenzamide
CID 114316520
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-fluoro-4-nitrobenzamide
CID 111451339
2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide
CID 107318410
3-[(2-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167285
N-cyclopentyloxy-2-fluoro-4-nitrobenzamide
CID 83202341

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-nitro-N-oxobenzamide?
The IUPAC name of 2-fluoro-4-nitro-N-oxobenzamide (CID 89146767) is 2-fluoro-4-nitro-N-oxobenzamide.
What is the SMILES notation for 2-fluoro-4-nitro-N-oxobenzamide?
The canonical SMILES for 2-fluoro-4-nitro-N-oxobenzamide is O=NC(=O)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-4-nitro-N-oxobenzamide?
The InChIKey is ALJQZVLLXQEQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FN2O4/c8-6-3-4(10(13)14)1-2-5(6)7(11)9-12/h1-3H.
What are the key properties of 2-fluoro-4-nitro-N-oxobenzamide?
2-fluoro-4-nitro-N-oxobenzamide has a molecular weight of 198.11 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-nitro-N-oxobenzamide is sourced from PubChem (CID 89146767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).