2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide

C11H10F2N2O4 — CID 113322132

IUPAC2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H10F2N2O4/c12-8-4-10(15(17)18)9(13)3-7(8)11(16)14-6-1-2-19-5-6/h3-4,6H,1-2,5H2,(H,14,16)
InChIKeyZIHBTMILIKSUOW-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.39
Rot. Bonds3

About 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide

2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide (PubChem CID 113322132) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
PubChem CID113322132
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C11H10F2N2O4/c12-8-4-10(15(17)18)9(13)3-7(8)11(16)14-6-1-2-19-5-6/h3-4,6H,1-2,5H2,(H,14,16)
InChIKeyZIHBTMILIKSUOW-UHFFFAOYSA-N
XLogP1.39
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.39
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 2,5-difluoro-4-nitro-N-(oxolan-3-yl)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-(oxolan-3-yl)benzamide
CID 80717470
2,5-difluoro-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
CID 67159216
2,4-difluoro-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
CID 43508871
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
4-fluoro-2-nitro-5-(oxolan-3-ylamino)benzoic acid
CID 80713505
N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
CID 156846136
N-(4-chlorocyclohexyl)-4,5-difluoro-2-nitrobenzamide
CID 114296950
5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
CID 102741811
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 104599368
2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
CID 104699356

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide (CID 113322132) is 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide is O=C(NC1CCOC1)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide?
The InChIKey is ZIHBTMILIKSUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c12-8-4-10(15(17)18)9(13)3-7(8)11(16)14-6-1-2-19-5-6/h3-4,6H,1-2,5H2,(H,14,16).
What are the key properties of 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide?
2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide has a molecular weight of 272.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 113322132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).