2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide

C13H8F2N2O4 — CID 108808620

IUPAC2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O4/c14-7-1-3-9(10(15)5-7)13(19)16-11-4-2-8(17(20)21)6-12(11)18/h1-6,18H,(H,16,19)
InChIKeyMVGBKFCJJLQEHE-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.83
Rot. Bonds3

About 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide

2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide (PubChem CID 108808620) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
PubChem CID108808620
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O4/c14-7-1-3-9(10(15)5-7)13(19)16-11-4-2-8(17(20)21)6-12(11)18/h1-6,18H,(H,16,19)
InChIKeyMVGBKFCJJLQEHE-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': 'catechol', '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

N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108802569
2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
CID 107743968
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
4-amino-3-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744277
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2-[(2-bromo-4-fluorobenzoyl)amino]-5-nitrobenzoic acid
CID 16771403
2-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide (CID 108808620) is 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide?
The InChIKey is MVGBKFCJJLQEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-7-1-3-9(10(15)5-7)13(19)16-11-4-2-8(17(20)21)6-12(11)18/h1-6,18H,(H,16,19).
What are the key properties of 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide?
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide 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 2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 108808620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).