N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide

C11H13ClINOS — CID 114301116

IUPACN-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NC1CCCCC1Cl)c1csc(I)c1
InChIInChI=1S/C11H13ClINOS/c12-8-3-1-2-4-9(8)14-11(15)7-5-10(13)16-6-7/h5-6,8-9H,1-4H2,(H,14,15)
InChIKeyHRBKSXMEQWVSAU-UHFFFAOYSA-N
MW369.66 g/mol
LogP3.63
Rot. Bonds2

About N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide

N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide (PubChem CID 114301116) has the molecular formula C11H13ClINOS and a molecular weight of 369.66 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
PubChem CID114301116
Molecular FormulaC11H13ClINOS
Molecular Weight369.66 g/mol
Exact Mass368.95
IUPAC NameN-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NC1CCCCC1Cl)c1csc(I)c1
InChIInChI=1S/C11H13ClINOS/c12-8-3-1-2-4-9(8)14-11(15)7-5-10(13)16-6-7/h5-6,8-9H,1-4H2,(H,14,15)
InChIKeyHRBKSXMEQWVSAU-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.66
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide (CID 114301116) is N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide is O=C(NC1CCCCC1Cl)c1csc(I)c1.
What is the InChIKey of N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide?
The InChIKey is HRBKSXMEQWVSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINOS/c12-8-3-1-2-4-9(8)14-11(15)7-5-10(13)16-6-7/h5-6,8-9H,1-4H2,(H,14,15).
What are the key properties of N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide?
N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide has a molecular weight of 369.66 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 114301116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).