5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide

C13H15FN2O3 — CID 103713598

IUPAC5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15FN2O3/c1-2-3-8-6-11(8)15-13(17)10-7-9(14)4-5-12(10)16(18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,15,17)
InChIKeyYAIHEYGSMZHWDA-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.65
Rot. Bonds5

About 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide

5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide (PubChem CID 103713598) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide
PubChem CID103713598
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15FN2O3/c1-2-3-8-6-11(8)15-13(17)10-7-9(14)4-5-12(10)16(18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,15,17)
InChIKeyYAIHEYGSMZHWDA-UHFFFAOYSA-N
XLogP2.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide 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

4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
CID 113245630
5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82724927
N-(2-methylcyclopropyl)-2-nitro-5-(propylamino)benzamide
CID 62408663
5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520
5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
N-(2-aminobutyl)-5-fluoro-2-nitrobenzamide
CID 63733638
2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 103713869
N-(1,3-dihydroxypropan-2-yl)-5-fluoro-2-nitrobenzamide
CID 65315617
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
2-fluoro-4-methoxy-N-(2-propylcyclopropyl)benzamide
CID 103713574
N-(2-cyclobutylethyl)-5-fluoro-2-nitrobenzamide
CID 115687037
5-(ethylamino)-N-(2-methylcyclopropyl)-2-nitrobenzamide
CID 62408662

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide?
The IUPAC name of 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide (CID 103713598) is 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide is CCCC1CC1NC(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide?
The InChIKey is YAIHEYGSMZHWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-2-3-8-6-11(8)15-13(17)10-7-9(14)4-5-12(10)16(18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide?
5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide has a molecular weight of 266.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide is sourced from PubChem (CID 103713598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).