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

C12H11BrF2N2O3 — CID 80661523

IUPACN-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
SMILESO=C(NC1CCCC1Br)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C12H11BrF2N2O3/c13-6-2-1-3-8(6)16-12(18)10-7(14)4-5-9(11(10)15)17(19)20/h4-6,8H,1-3H2,(H,16,18)
InChIKeyMFJUTENJTJKXOE-UHFFFAOYSA-N
MW349.13 g/mol
LogP2.92
Rot. Bonds3

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

N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide (PubChem CID 80661523) has the molecular formula C12H11BrF2N2O3 and a molecular weight of 349.13 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
PubChem CID80661523
Molecular FormulaC12H11BrF2N2O3
Molecular Weight349.13 g/mol
Exact Mass347.99
IUPAC NameN-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
SMILESO=C(NC1CCCC1Br)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C12H11BrF2N2O3/c13-6-2-1-3-8(6)16-12(18)10-7(14)4-5-9(11(10)15)17(19)20/h4-6,8H,1-3H2,(H,16,18)
InChIKeyMFJUTENJTJKXOE-UHFFFAOYSA-N
XLogP2.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide 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

N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
CID 79760259
N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
CID 79773195
N-(2-bromocyclopentyl)-4-fluoro-2-nitrobenzamide
CID 113417422
N-(2-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
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-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 107122177
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide (CID 80661523) is N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide is O=C(NC1CCCC1Br)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide?
The InChIKey is MFJUTENJTJKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O3/c13-6-2-1-3-8(6)16-12(18)10-7(14)4-5-9(11(10)15)17(19)20/h4-6,8H,1-3H2,(H,16,18).
What are the key properties of N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide?
N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide has a molecular weight of 349.13 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 80661523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).