2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide

C13H12BrFN2O — CID 115687322

IUPAC2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
SMILESN#CC1(NC(=O)c2c(F)cccc2Br)CCCC1
InChIInChI=1S/C13H12BrFN2O/c14-9-4-3-5-10(15)11(9)12(18)17-13(8-16)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,17,18)
InChIKeyOVDFCWBKFYIKOM-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.15
Rot. Bonds2

About 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide

2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide (PubChem CID 115687322) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
PubChem CID115687322
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
SMILESN#CC1(NC(=O)c2c(F)cccc2Br)CCCC1
InChIInChI=1S/C13H12BrFN2O/c14-9-4-3-5-10(15)11(9)12(18)17-13(8-16)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,17,18)
InChIKeyOVDFCWBKFYIKOM-UHFFFAOYSA-N
XLogP3.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide 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

3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595
3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
CID 82797779
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
CID 114561143
2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 114559754
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
3-bromo-N-(1-cyano-4-methylcyclohexyl)-2-fluorobenzamide
CID 107951120

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide (CID 115687322) is 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide is N#CC1(NC(=O)c2c(F)cccc2Br)CCCC1.
What is the InChIKey of 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide?
The InChIKey is OVDFCWBKFYIKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-9-4-3-5-10(15)11(9)12(18)17-13(8-16)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,17,18).
What are the key properties of 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide?
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide has a molecular weight of 311.15 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide is sourced from PubChem (CID 115687322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).