5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide

C13H15FN2O4 — CID 115648956

IUPAC5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCOC1
InChIInChI=1S/C13H15FN2O4/c1-8(9-4-5-20-7-9)15-13(17)11-6-10(14)2-3-12(11)16(18)19/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,17)
InChIKeyQNGNRDJNHXXFNJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.89
Rot. Bonds4

About 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide

5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide (PubChem CID 115648956) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
PubChem CID115648956
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCOC1
InChIInChI=1S/C13H15FN2O4/c1-8(9-4-5-20-7-9)15-13(17)11-6-10(14)2-3-12(11)16(18)19/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,17)
InChIKeyQNGNRDJNHXXFNJ-UHFFFAOYSA-N
XLogP1.89
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]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

5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113483482
5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
3-hydroxy-4-nitro-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 99774885
2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103297619
4-amino-3-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115649252
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
2,3-dichloro-5-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 107189551
N-(1-chloropropan-2-yl)-5-fluoro-2-nitrobenzamide
CID 114299406
N-[(2S)-1-aminopropan-2-yl]-5-fluoro-2-nitrobenzamide
CID 120505682
5-fluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62720855
5-fluoro-N-[1-(furan-2-yl)ethyl]-2-nitrobenzamide
CID 60875839
5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82724927

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide (CID 115648956) is 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide is CC(NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCOC1.
What is the InChIKey of 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is QNGNRDJNHXXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-8(9-4-5-20-7-9)15-13(17)11-6-10(14)2-3-12(11)16(18)19/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide?
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 282.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 115648956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).