2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide

C11H13FN2O4 — CID 65107582

IUPAC2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
SMILESCC(C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H13FN2O4/c1-11(2,16)6-13-10(15)8-5-7(14(17)18)3-4-9(8)12/h3-5,16H,6H2,1-2H3,(H,13,15)
InChIKeyYFLAJQNRZQLRCO-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.23
Rot. Bonds4

About 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide

2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide (PubChem CID 65107582) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
PubChem CID65107582
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
SMILESCC(C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H13FN2O4/c1-11(2,16)6-13-10(15)8-5-7(14(17)18)3-4-9(8)12/h3-5,16H,6H2,1-2H3,(H,13,15)
InChIKeyYFLAJQNRZQLRCO-UHFFFAOYSA-N
XLogP1.23
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.23
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'}

Analyze 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-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-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
4,5-difluoro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107214
2-fluoro-N-[(4-methylsulfanylphenyl)methyl]-5-nitrobenzamide
CID 22467430
2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 43808767
2-fluoro-N-(2-methylpentan-2-yl)-5-nitrobenzamide
CID 52804730
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107531
N-(2-aminobutyl)-2-fluoro-5-nitrobenzamide
CID 63731372
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide
CID 151161716
N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
2-fluoro-N-(2-hydroxy-2-propylpentyl)-4-nitrobenzamide
CID 111485080
N-(2-amino-3-hydroxybutyl)-2-fluoro-5-nitrobenzamide
CID 64540596

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide (CID 65107582) is 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide is CC(C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide?
The InChIKey is YFLAJQNRZQLRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-11(2,16)6-13-10(15)8-5-7(14(17)18)3-4-9(8)12/h3-5,16H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide?
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide has a molecular weight of 256.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide is sourced from PubChem (CID 65107582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).