N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide

C20H11FN2O5 — CID 4900108

IUPACN-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide
SMILESO=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H11FN2O5/c21-16-3-1-2-15-18(24)14-9-6-12(10-17(14)28-19(15)16)22-20(25)11-4-7-13(8-5-11)23(26)27/h1-10H,(H,22,25)
InChIKeyXOIACMUKFPKNHX-UHFFFAOYSA-N
MW378.32 g/mol
LogP4.25
Rot. Bonds3

About N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide

N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide (PubChem CID 4900108) has the molecular formula C20H11FN2O5 and a molecular weight of 378.32 g/mol. Its IUPAC name is N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide
PubChem CID4900108
Molecular FormulaC20H11FN2O5
Molecular Weight378.32 g/mol
Exact Mass378.07
IUPAC NameN-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide
SMILESO=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H11FN2O5/c21-16-3-1-2-15-18(24)14-9-6-12(10-17(14)28-19(15)16)22-20(25)11-4-7-13(8-5-11)23(26)27/h1-10H,(H,22,25)
InChIKeyXOIACMUKFPKNHX-UHFFFAOYSA-N
XLogP4.25
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide?
The IUPAC name of N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide (CID 4900108) is N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide?
The canonical SMILES for N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide is O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide?
The InChIKey is XOIACMUKFPKNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FN2O5/c21-16-3-1-2-15-18(24)14-9-6-12(10-17(14)28-19(15)16)22-20(25)11-4-7-13(8-5-11)23(26)27/h1-10H,(H,22,25).
What are the key properties of N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide?
N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide has a molecular weight of 378.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzamide is sourced from PubChem (CID 4900108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).