5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide

C11H11FN2O4 — CID 80717470

IUPAC5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11FN2O4/c12-7-1-2-10(14(16)17)9(5-7)11(15)13-8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,13,15)
InChIKeyILFUXMUJVFCXNS-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.25
Rot. Bonds3

About 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide

5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide (PubChem CID 80717470) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
PubChem CID80717470
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11FN2O4/c12-7-1-2-10(14(16)17)9(5-7)11(15)13-8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,13,15)
InChIKeyILFUXMUJVFCXNS-UHFFFAOYSA-N
XLogP1.25
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.25
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

2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
CID 113322132
5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
CID 102741811
5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82724927
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115648956
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
5-fluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62720855
N-cyclopropyl-4-fluoro-2-nitrobenzamide
CID 112698911
5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106
5-fluoro-2-nitro-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide
CID 95305345
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
N-(2-cyclobutylethyl)-5-fluoro-2-nitrobenzamide
CID 115687037
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide (CID 80717470) is 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide is O=C(NC1CCOC1)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide?
The InChIKey is ILFUXMUJVFCXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c12-7-1-2-10(14(16)17)9(5-7)11(15)13-8-3-4-18-6-8/h1-2,5,8H,3-4,6H2,(H,13,15).
What are the key properties of 5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide?
5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide has a molecular weight of 254.22 g/mol, XLogP of 1.25, 3 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-(oxolan-3-yl)benzamide is sourced from PubChem (CID 80717470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).