N-(1-cyanocyclopentyl)-3-iodobenzamide

C13H13IN2O — CID 60659200

IUPACN-(1-cyanocyclopentyl)-3-iodobenzamide
SMILESN#CC1(NC(=O)c2cccc(I)c2)CCCC1
InChIInChI=1S/C13H13IN2O/c14-11-5-3-4-10(8-11)12(17)16-13(9-15)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeyBBHSCZSEGVISQO-UHFFFAOYSA-N
MW340.16 g/mol
LogP2.86
Rot. Bonds2

About N-(1-cyanocyclopentyl)-3-iodobenzamide

N-(1-cyanocyclopentyl)-3-iodobenzamide (PubChem CID 60659200) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-iodobenzamide
PubChem CID60659200
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC NameN-(1-cyanocyclopentyl)-3-iodobenzamide
SMILESN#CC1(NC(=O)c2cccc(I)c2)CCCC1
InChIInChI=1S/C13H13IN2O/c14-11-5-3-4-10(8-11)12(17)16-13(9-15)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeyBBHSCZSEGVISQO-UHFFFAOYSA-N
XLogP2.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-iodobenzoate
CID 8011133
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
CID 60592180
N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
CID 78950202
N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
CID 78949949
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-iodobenzamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-iodobenzamide (CID 60659200) is N-(1-cyanocyclopentyl)-3-iodobenzamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-iodobenzamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-iodobenzamide is N#CC1(NC(=O)c2cccc(I)c2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-iodobenzamide?
The InChIKey is BBHSCZSEGVISQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c14-11-5-3-4-10(8-11)12(17)16-13(9-15)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,16,17).
What are the key properties of N-(1-cyanocyclopentyl)-3-iodobenzamide?
N-(1-cyanocyclopentyl)-3-iodobenzamide has a molecular weight of 340.16 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3-iodobenzamide is sourced from PubChem (CID 60659200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).