3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide

C13H12BrClN2O — CID 103827162

IUPAC3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
SMILESN#CC1(NC(=O)c2cc(Cl)cc(Br)c2)CCCC1
InChIInChI=1S/C13H12BrClN2O/c14-10-5-9(6-11(15)7-10)12(18)17-13(8-16)3-1-2-4-13/h5-7H,1-4H2,(H,17,18)
InChIKeyVUIRTOOAOBSRDY-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.67
Rot. Bonds2

About 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide

3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide (PubChem CID 103827162) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
PubChem CID103827162
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
SMILESN#CC1(NC(=O)c2cc(Cl)cc(Br)c2)CCCC1
InChIInChI=1S/C13H12BrClN2O/c14-10-5-9(6-11(15)7-10)12(18)17-13(8-16)3-1-2-4-13/h5-7H,1-4H2,(H,17,18)
InChIKeyVUIRTOOAOBSRDY-UHFFFAOYSA-N
XLogP3.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-chloro-N-(1-cyanocyclopentyl)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

3-bromo-5-chloro-N-(3-cyanothiolan-3-yl)benzamide
CID 103827156
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107653426
3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide
CID 107940507
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide (CID 103827162) is 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide is N#CC1(NC(=O)c2cc(Cl)cc(Br)c2)CCCC1.
What is the InChIKey of 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide?
The InChIKey is VUIRTOOAOBSRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c14-10-5-9(6-11(15)7-10)12(18)17-13(8-16)3-1-2-4-13/h5-7H,1-4H2,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide?
3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide has a molecular weight of 327.61 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide is sourced from PubChem (CID 103827162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).