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

C15H10F2N2OS — CID 79517181

IUPAC3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2F)sc2cccc(F)c12
InChIInChI=1S/C15H10F2N2OS/c16-8-4-1-2-6-10(8)19-15(20)14-13(18)12-9(17)5-3-7-11(12)21-14/h1-7H,18H2,(H,19,20)
InChIKeyCNTQZPWKFOVGGC-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.01
Rot. Bonds2

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

3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 79517181) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID79517181
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2F)sc2cccc(F)c12
InChIInChI=1S/C15H10F2N2OS/c16-8-4-1-2-6-10(8)19-15(20)14-13(18)12-9(17)5-3-7-11(12)21-14/h1-7H,18H2,(H,19,20)
InChIKeyCNTQZPWKFOVGGC-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-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

4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 79515302
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
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
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
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide (CID 79517181) is 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide is Nc1c(C(=O)Nc2ccccc2F)sc2cccc(F)c12.
What is the InChIKey of 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CNTQZPWKFOVGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-8-4-1-2-6-10(8)19-15(20)14-13(18)12-9(17)5-3-7-11(12)21-14/h1-7H,18H2,(H,19,20).
What are the key properties of 3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide?
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 4.01, 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-(2-fluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79517181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).