N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide

C12H6FIN2OS — CID 79954178

IUPACN-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1csc(I)c1
InChIInChI=1S/C12H6FIN2OS/c13-9-1-2-10(7(3-9)5-15)16-12(17)8-4-11(14)18-6-8/h1-4,6H,(H,16,17)
InChIKeyHPVINIXZTFYKGW-UHFFFAOYSA-N
MW372.16 g/mol
LogP3.62
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide

N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide (PubChem CID 79954178) has the molecular formula C12H6FIN2OS and a molecular weight of 372.16 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
PubChem CID79954178
Molecular FormulaC12H6FIN2OS
Molecular Weight372.16 g/mol
Exact Mass371.92
IUPAC NameN-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1csc(I)c1
InChIInChI=1S/C12H6FIN2OS/c13-9-1-2-10(7(3-9)5-15)16-12(17)8-4-11(14)18-6-8/h1-4,6H,(H,16,17)
InChIKeyHPVINIXZTFYKGW-UHFFFAOYSA-N
XLogP3.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-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-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
methyl 5-fluoro-2-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78948985
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 103401716
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79954172

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide (CID 79954178) is N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide is N#Cc1cc(F)ccc1NC(=O)c1csc(I)c1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is HPVINIXZTFYKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FIN2OS/c13-9-1-2-10(7(3-9)5-15)16-12(17)8-4-11(14)18-6-8/h1-4,6H,(H,16,17).
What are the key properties of N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide?
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 372.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79954178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).