N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide

C11H11F2N3O3 — CID 79773263

IUPACN-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
SMILESNC1CC(NC(=O)c2c(F)ccc([N+](=O)[O-])c2F)C1
InChIInChI=1S/C11H11F2N3O3/c12-7-1-2-8(16(18)19)10(13)9(7)11(17)15-6-3-5(14)4-6/h1-2,5-6H,3-4,14H2,(H,15,17)
InChIKeyVUKZBSGAPVBYOQ-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.09
Rot. Bonds3

About N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide

N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide (PubChem CID 79773263) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
PubChem CID79773263
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC NameN-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
SMILESNC1CC(NC(=O)c2c(F)ccc([N+](=O)[O-])c2F)C1
InChIInChI=1S/C11H11F2N3O3/c12-7-1-2-8(16(18)19)10(13)9(7)11(17)15-6-3-5(14)4-6/h1-2,5-6H,3-4,14H2,(H,15,17)
InChIKeyVUKZBSGAPVBYOQ-UHFFFAOYSA-N
XLogP1.09
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
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

N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
CID 79773195
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
N-[(3-chlorocyclopentyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 106127655
2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide
CID 107122863
N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 80661523
N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
CID 79760259

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide (CID 79773263) is N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide is NC1CC(NC(=O)c2c(F)ccc([N+](=O)[O-])c2F)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide?
The InChIKey is VUKZBSGAPVBYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3/c12-7-1-2-8(16(18)19)10(13)9(7)11(17)15-6-3-5(14)4-6/h1-2,5-6H,3-4,14H2,(H,15,17).
What are the key properties of N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide?
N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide has a molecular weight of 271.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 79773263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).