5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide

C12H13FN2O4 — CID 82724927

IUPAC5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
SMILESCC1OCCC1NC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H13FN2O4/c1-7-10(4-5-19-7)14-12(16)9-6-8(13)2-3-11(9)15(17)18/h2-3,6-7,10H,4-5H2,1H3,(H,14,16)
InChIKeyICDIHCDROAKYJO-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.64
Rot. Bonds3

About 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide

5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide (PubChem CID 82724927) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
PubChem CID82724927
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
SMILESCC1OCCC1NC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H13FN2O4/c1-7-10(4-5-19-7)14-12(16)9-6-8(13)2-3-11(9)15(17)18/h2-3,6-7,10H,4-5H2,1H3,(H,14,16)
InChIKeyICDIHCDROAKYJO-UHFFFAOYSA-N
XLogP1.64
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.64
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

5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
5-fluoro-N-methyl-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82734881
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide
CID 103713598
4-hydroxy-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
CID 131961007
5-fluoro-2-nitro-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide
CID 95305345
5-fluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62720855
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115648956
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
CID 82728855
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide?
The IUPAC name of 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide (CID 82724927) is 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide?
The canonical SMILES for 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide is CC1OCCC1NC(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide?
The InChIKey is ICDIHCDROAKYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-7-10(4-5-19-7)14-12(16)9-6-8(13)2-3-11(9)15(17)18/h2-3,6-7,10H,4-5H2,1H3,(H,14,16).
What are the key properties of 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide?
5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide has a molecular weight of 268.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 82724927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).