5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide

C14H11FN2O4 — CID 115735454

IUPAC5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
SMILESO=C(NCc1ccccc1O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O4/c15-10-5-6-12(17(20)21)11(7-10)14(19)16-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19)
InChIKeyKULOZFPEAWYERE-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.37
Rot. Bonds4

About 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide

5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide (PubChem CID 115735454) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
PubChem CID115735454
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
SMILESO=C(NCc1ccccc1O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O4/c15-10-5-6-12(17(20)21)11(7-10)14(19)16-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19)
InChIKeyKULOZFPEAWYERE-UHFFFAOYSA-N
XLogP2.37
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 115989525
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 103860977
5-fluoro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119502800
5-fluoro-2-nitro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 96515517
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
N-(4-amino-4-oxobutyl)-5-fluoro-2-nitrobenzamide
CID 60875259
5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 62046517
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-(3-amino-2,2-difluoropropyl)-5-fluoro-2-nitrobenzamide
CID 114383355

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide?
The IUPAC name of 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide (CID 115735454) is 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide is O=C(NCc1ccccc1O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide?
The InChIKey is KULOZFPEAWYERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-10-5-6-12(17(20)21)11(7-10)14(19)16-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,16,19).
What are the key properties of 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide?
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide has a molecular weight of 290.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 115735454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).