3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide

C13H15ClINOS — CID 103737055

IUPAC3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2ccc(I)c(Cl)c2)C1
InChIInChI=1S/C13H15ClINOS/c1-18-10-4-3-9(7-10)16-13(17)8-2-5-12(15)11(14)6-8/h2,5-6,9-10H,3-4,7H2,1H3,(H,16,17)
InChIKeyALGDBPHJDQSJCI-UHFFFAOYSA-N
MW395.69 g/mol
LogP3.96
Rot. Bonds3

About 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide

3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide (PubChem CID 103737055) has the molecular formula C13H15ClINOS and a molecular weight of 395.69 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
PubChem CID103737055
Molecular FormulaC13H15ClINOS
Molecular Weight395.69 g/mol
Exact Mass394.96
IUPAC Name3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2ccc(I)c(Cl)c2)C1
InChIInChI=1S/C13H15ClINOS/c1-18-10-4-3-9(7-10)16-13(17)8-2-5-12(15)11(14)6-8/h2,5-6,9-10H,3-4,7H2,1H3,(H,16,17)
InChIKeyALGDBPHJDQSJCI-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 53.96
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

3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103708467
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
CID 114122854
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide (CID 103737055) is 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide is CSC1CCC(NC(=O)c2ccc(I)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide?
The InChIKey is ALGDBPHJDQSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINOS/c1-18-10-4-3-9(7-10)16-13(17)8-2-5-12(15)11(14)6-8/h2,5-6,9-10H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide?
3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide has a molecular weight of 395.69 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 103737055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).