N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide

C14H15FN2O4 — CID 103864653

IUPACN-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H15FN2O4/c15-10-7-9(3-4-12(10)17(19)20)14(18)16-11-5-6-21-13(11)8-1-2-8/h3-4,7-8,11,13H,1-2,5-6H2,(H,16,18)
InChIKeySJKSZYQMNUTAGE-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.03
Rot. Bonds4

About N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide

N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide (PubChem CID 103864653) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
PubChem CID103864653
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
SMILESO=C(NC1CCOC1C1CC1)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H15FN2O4/c15-10-7-9(3-4-12(10)17(19)20)14(18)16-11-5-6-21-13(11)8-1-2-8/h3-4,7-8,11,13H,1-2,5-6H2,(H,16,18)
InChIKeySJKSZYQMNUTAGE-UHFFFAOYSA-N
XLogP2.03
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.03
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

3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-nitrobenzamide
CID 104957120
3-fluoro-4-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80611768
2-[(3-fluoro-4-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813719
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide
CID 103863930
3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide
CID 103908532
2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide
CID 103864661
N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide
CID 103864238
2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide
CID 103864624
4-hydroxy-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
CID 131961007
N-(2,2-dimethylcyclohexyl)-3-fluoro-4-nitrobenzamide
CID 79869888
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
CID 103864687

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide (CID 103864653) is N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide is O=C(NC1CCOC1C1CC1)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide?
The InChIKey is SJKSZYQMNUTAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-10-7-9(3-4-12(10)17(19)20)14(18)16-11-5-6-21-13(11)8-1-2-8/h3-4,7-8,11,13H,1-2,5-6H2,(H,16,18).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide?
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide has a molecular weight of 294.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide is sourced from PubChem (CID 103864653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).