N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide

C11H7ClF2N2OS — CID 81315290

IUPACN-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide
SMILESNc1cc(F)cc(F)c1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClF2N2OS/c12-9-2-1-8(18-9)11(17)16-10-6(14)3-5(13)4-7(10)15/h1-4H,15H2,(H,16,17)
InChIKeyZUSATUNAQGWBIY-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.51
Rot. Bonds2

About N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide

N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide (PubChem CID 81315290) has the molecular formula C11H7ClF2N2OS and a molecular weight of 288.71 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide
PubChem CID81315290
Molecular FormulaC11H7ClF2N2OS
Molecular Weight288.71 g/mol
Exact Mass287.99
IUPAC NameN-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide
SMILESNc1cc(F)cc(F)c1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClF2N2OS/c12-9-2-1-8(18-9)11(17)16-10-6(14)3-5(13)4-7(10)15/h1-4H,15H2,(H,16,17)
InChIKeyZUSATUNAQGWBIY-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide (CID 81315290) is N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide is Nc1cc(F)cc(F)c1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide?
The InChIKey is ZUSATUNAQGWBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2OS/c12-9-2-1-8(18-9)11(17)16-10-6(14)3-5(13)4-7(10)15/h1-4H,15H2,(H,16,17).
What are the key properties of N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide?
N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide has a molecular weight of 288.71 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 81315290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).