3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide

C15H10FIN2OS — CID 79515302

IUPAC3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(I)cc2)sc2cccc(F)c12
InChIInChI=1S/C15H10FIN2OS/c16-10-2-1-3-11-12(10)13(18)14(21-11)15(20)19-9-6-4-8(17)5-7-9/h1-7H,18H2,(H,19,20)
InChIKeyHLURBWXESUAYGA-UHFFFAOYSA-N
MW412.23 g/mol
LogP4.48
Rot. Bonds2

About 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide

3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 79515302) has the molecular formula C15H10FIN2OS and a molecular weight of 412.23 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
PubChem CID79515302
Molecular FormulaC15H10FIN2OS
Molecular Weight412.23 g/mol
Exact Mass411.95
IUPAC Name3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(I)cc2)sc2cccc(F)c12
InChIInChI=1S/C15H10FIN2OS/c16-10-2-1-3-11-12(10)13(18)14(21-11)15(20)19-9-6-4-8(17)5-7-9/h1-7H,18H2,(H,19,20)
InChIKeyHLURBWXESUAYGA-UHFFFAOYSA-N
XLogP4.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
3-amino-4-fluoro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79516844
3-amino-4-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 79512370
3-amino-4-fluoro-N-(3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 79510954
3-amino-4-fluoro-N-pentan-3-yl-1-benzothiophene-2-carboxamide
CID 79512257
3-amino-4-fluoro-N-(1-hydroxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 79512371
3-amino-4-fluoro-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 79511989
N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845819
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
3-amino-4-fluoro-N-(2-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79517182
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)-1-benzothiophene-2-carboxamide
CID 79511999

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide (CID 79515302) is 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide is Nc1c(C(=O)Nc2ccc(I)cc2)sc2cccc(F)c12.
What is the InChIKey of 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is HLURBWXESUAYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN2OS/c16-10-2-1-3-11-12(10)13(18)14(21-11)15(20)19-9-6-4-8(17)5-7-9/h1-7H,18H2,(H,19,20).
What are the key properties of 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide?
3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 412.23 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79515302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).