N-(1-cyanocycloheptyl)-3-iodobenzamide

C15H17IN2O — CID 54904742

IUPACN-(1-cyanocycloheptyl)-3-iodobenzamide
SMILESN#CC1(NC(=O)c2cccc(I)c2)CCCCCC1
InChIInChI=1S/C15H17IN2O/c16-13-7-5-6-12(10-13)14(19)18-15(11-17)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2,(H,18,19)
InChIKeyZZYWJWMXIVSHBX-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.64
Rot. Bonds2

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

N-(1-cyanocycloheptyl)-3-iodobenzamide (PubChem CID 54904742) has the molecular formula C15H17IN2O and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-3-iodobenzamide
PubChem CID54904742
Molecular FormulaC15H17IN2O
Molecular Weight368.22 g/mol
Exact Mass368.04
IUPAC NameN-(1-cyanocycloheptyl)-3-iodobenzamide
SMILESN#CC1(NC(=O)c2cccc(I)c2)CCCCCC1
InChIInChI=1S/C15H17IN2O/c16-13-7-5-6-12(10-13)14(19)18-15(11-17)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2,(H,18,19)
InChIKeyZZYWJWMXIVSHBX-UHFFFAOYSA-N
XLogP3.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.64
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-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
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-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
CID 60592180
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
CID 78949949
N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
CID 78950202
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-3-iodobenzamide?
The IUPAC name of N-(1-cyanocycloheptyl)-3-iodobenzamide (CID 54904742) is N-(1-cyanocycloheptyl)-3-iodobenzamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-3-iodobenzamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-3-iodobenzamide is N#CC1(NC(=O)c2cccc(I)c2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-3-iodobenzamide?
The InChIKey is ZZYWJWMXIVSHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O/c16-13-7-5-6-12(10-13)14(19)18-15(11-17)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2,(H,18,19).
What are the key properties of N-(1-cyanocycloheptyl)-3-iodobenzamide?
N-(1-cyanocycloheptyl)-3-iodobenzamide has a molecular weight of 368.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-3-iodobenzamide is sourced from PubChem (CID 54904742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).