3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide

C13H12BrFN2O — CID 103707335

IUPAC3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
SMILESN#CC1(NC(=O)c2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C13H12BrFN2O/c14-10-7-9(3-4-11(10)15)12(18)17-13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18)
InChIKeyMQRFQBZBVRQYIA-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.15
Rot. Bonds2

About 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide

3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide (PubChem CID 103707335) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
PubChem CID103707335
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
SMILESN#CC1(NC(=O)c2ccc(F)c(Br)c2)CCCC1
InChIInChI=1S/C13H12BrFN2O/c14-10-7-9(3-4-11(10)15)12(18)17-13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18)
InChIKeyMQRFQBZBVRQYIA-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

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Related Compounds

N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
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2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
CID 103827162
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 62113316
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide (CID 103707335) is 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide is N#CC1(NC(=O)c2ccc(F)c(Br)c2)CCCC1.
What is the InChIKey of 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide?
The InChIKey is MQRFQBZBVRQYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-10-7-9(3-4-11(10)15)12(18)17-13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18).
What are the key properties of 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide?
3-bromo-N-(1-cyanocyclopentyl)-4-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 3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide is sourced from PubChem (CID 103707335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).