2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide

C13H8F2N2O4 — CID 115751900

IUPAC2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H8F2N2O4/c14-10-6-12(17(20)21)11(15)5-9(10)13(19)16-7-1-3-8(18)4-2-7/h1-6,18H,(H,16,19)
InChIKeyCBOLEVFNCSTJOW-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.83
Rot. Bonds3

About 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide

2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide (PubChem CID 115751900) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
PubChem CID115751900
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H8F2N2O4/c14-10-6-12(17(20)21)11(15)5-9(10)13(19)16-7-1-3-8(18)4-2-7/h1-6,18H,(H,16,19)
InChIKeyCBOLEVFNCSTJOW-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'}

Analyze 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115750799
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide
CID 141413648
5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539
2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide
CID 166230707
N-(2-bromo-3-pyridinyl)-2,5-difluoro-4-nitrobenzamide
CID 104705397

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide?
The IUPAC name of 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide (CID 115751900) is 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide is O=C(Nc1ccc(O)cc1)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide?
The InChIKey is CBOLEVFNCSTJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-10-6-12(17(20)21)11(15)5-9(10)13(19)16-7-1-3-8(18)4-2-7/h1-6,18H,(H,16,19).
What are the key properties of 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide?
2,5-difluoro-N-(4-hydroxyphenyl)-4-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 2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 115751900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).