2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide

C14H11FN2O4 — CID 104916506

IUPAC2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2c(O)cccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O4/c1-8-5-6-9(7-11(8)17(20)21)16-14(19)13-10(15)3-2-4-12(13)18/h2-7,18H,1H3,(H,16,19)
InChIKeyCHDRYZKIWOAJOS-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.00
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide

2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 104916506) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID104916506
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2c(O)cccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O4/c1-8-5-6-9(7-11(8)17(20)21)16-14(19)13-10(15)3-2-4-12(13)18/h2-7,18H,1H3,(H,16,19)
InChIKeyCHDRYZKIWOAJOS-UHFFFAOYSA-N
XLogP3.00
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
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

2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 115920885
2-fluoro-6-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 104917008
4-amino-2-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 107793705
2-fluoro-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4950441
2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide (CID 104916506) is 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide is Cc1ccc(NC(=O)c2c(O)cccc2F)cc1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is CHDRYZKIWOAJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-8-5-6-9(7-11(8)17(20)21)16-14(19)13-10(15)3-2-4-12(13)18/h2-7,18H,1H3,(H,16,19).
What are the key properties of 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide?
2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 290.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 104916506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).