4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide

C13H8F2N2O4 — CID 75502193

IUPAC4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(O)cc1F)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8F2N2O4/c14-7-1-3-9(12(5-7)17(20)21)13(19)16-11-4-2-8(18)6-10(11)15/h1-6,18H,(H,16,19)
InChIKeyUFSSYPJBKGCDLM-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.83
Rot. Bonds3

About 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide

4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide (PubChem CID 75502193) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
PubChem CID75502193
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(O)cc1F)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8F2N2O4/c14-7-1-3-9(12(5-7)17(20)21)13(19)16-11-4-2-8(18)6-10(11)15/h1-6,18H,(H,16,19)
InChIKeyUFSSYPJBKGCDLM-UHFFFAOYSA-N
XLogP2.83
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
CID 115736636
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 64793485
N-(4-bromo-2-fluorophenyl)-2,4-dinitrobenzamide
CID 3306901
N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 107301433
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide?
The IUPAC name of 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide (CID 75502193) is 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide is O=C(Nc1ccc(O)cc1F)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide?
The InChIKey is UFSSYPJBKGCDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-7-1-3-9(12(5-7)17(20)21)13(19)16-11-4-2-8(18)6-10(11)15/h1-6,18H,(H,16,19).
What are the key properties of 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide?
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide has a molecular weight of 294.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 75502193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).