2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide

C11H11F2N3O3 — CID 79773554

IUPAC2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H11F2N3O3/c12-7-1-2-8(16(18)19)10(13)9(7)11(17)15-6-3-4-14-5-6/h1-2,6,14H,3-5H2,(H,15,17)/t6-/m1/s1
InChIKeyVEUQMHVTZUTZNQ-ZCFIWIBFSA-N
MW271.22 g/mol
LogP0.96
Rot. Bonds3

About 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide

2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 79773554) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID79773554
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H11F2N3O3/c12-7-1-2-8(16(18)19)10(13)9(7)11(17)15-6-3-4-14-5-6/h1-2,6,14H,3-5H2,(H,15,17)/t6-/m1/s1
InChIKeyVEUQMHVTZUTZNQ-ZCFIWIBFSA-N
XLogP0.96
TPSA84.27 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 ≤ 50.96
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'}

Analyze 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174
N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 79773263
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
CID 79773195
N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 80661523
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 107122177
N-ethyl-2,6-difluoro-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 79759439

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 79773554) is 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCNC1)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is VEUQMHVTZUTZNQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11F2N3O3/c12-7-1-2-8(16(18)19)10(13)9(7)11(17)15-6-3-4-14-5-6/h1-2,6,14H,3-5H2,(H,15,17)/t6-/m1/s1.
What are the key properties of 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide?
2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 271.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79773554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).