N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide

C13H12ClIN2O — CID 113255375

IUPACN-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(I)ccc2Cl)CCCC1
InChIInChI=1S/C13H12ClIN2O/c14-10-4-3-9(15)7-11(10)17-12(18)13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18)
InChIKeyGXFOWJUYXXFEAV-UHFFFAOYSA-N
MW374.61 g/mol
LogP3.97
Rot. Bonds2

About N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide

N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide (PubChem CID 113255375) has the molecular formula C13H12ClIN2O and a molecular weight of 374.61 g/mol. Its IUPAC name is N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
PubChem CID113255375
Molecular FormulaC13H12ClIN2O
Molecular Weight374.61 g/mol
Exact Mass373.97
IUPAC NameN-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(I)ccc2Cl)CCCC1
InChIInChI=1S/C13H12ClIN2O/c14-10-4-3-9(15)7-11(10)17-12(18)13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18)
InChIKeyGXFOWJUYXXFEAV-UHFFFAOYSA-N
XLogP3.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide 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

N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
N-(2-chloro-5-nitrophenyl)-1-cyanocyclobutane-1-carboxamide
CID 78994923
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyanocyclopropane-1-carboxamide
CID 80599070
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
N-(2-bromo-5-chloro-4-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 104723753
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 103771809
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114001899
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide (CID 113255375) is N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide is N#CC1(C(=O)Nc2cc(I)ccc2Cl)CCCC1.
What is the InChIKey of N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide?
The InChIKey is GXFOWJUYXXFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2O/c14-10-4-3-9(15)7-11(10)17-12(18)13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide?
N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide has a molecular weight of 374.61 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 113255375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).