2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide

C11H10F2N2O4 — CID 113322130

IUPAC2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H10F2N2O4/c12-7-1-2-8(15(17)18)10(13)9(7)11(16)14-6-3-4-19-5-6/h1-2,6H,3-5H2,(H,14,16)
InChIKeyWLLZGKFOANIQJG-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.39
Rot. Bonds3

About 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide

2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide (PubChem CID 113322130) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
PubChem CID113322130
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H10F2N2O4/c12-7-1-2-8(15(17)18)10(13)9(7)11(16)14-6-3-4-19-5-6/h1-2,6H,3-5H2,(H,14,16)
InChIKeyWLLZGKFOANIQJG-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'}

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Related Compounds

2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 79773263
2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554
5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
CID 113322132
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174
N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
CID 79773195
N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 80661523
3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
CID 79773740
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide (CID 113322130) is 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide is O=C(NC1CCOC1)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide?
The InChIKey is WLLZGKFOANIQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c12-7-1-2-8(15(17)18)10(13)9(7)11(16)14-6-3-4-19-5-6/h1-2,6H,3-5H2,(H,14,16).
What are the key properties of 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide?
2,6-difluoro-3-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 2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 113322130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).