2-amino-4-fluoro-N-thiophen-3-ylbenzamide

C11H9FN2OS — CID 66354589

IUPAC2-amino-4-fluoro-N-thiophen-3-ylbenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1ccsc1
InChIInChI=1S/C11H9FN2OS/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-6H,13H2,(H,14,15)
InChIKeyKJUFZYNDERLVCX-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.72
Rot. Bonds2

About 2-amino-4-fluoro-N-thiophen-3-ylbenzamide

2-amino-4-fluoro-N-thiophen-3-ylbenzamide (PubChem CID 66354589) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-thiophen-3-ylbenzamide
PubChem CID66354589
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-amino-4-fluoro-N-thiophen-3-ylbenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1ccsc1
InChIInChI=1S/C11H9FN2OS/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-6H,13H2,(H,14,15)
InChIKeyKJUFZYNDERLVCX-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
3-amino-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070561
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
CID 63109637
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
CID 64556746

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-thiophen-3-ylbenzamide?
The IUPAC name of 2-amino-4-fluoro-N-thiophen-3-ylbenzamide (CID 66354589) is 2-amino-4-fluoro-N-thiophen-3-ylbenzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-thiophen-3-ylbenzamide?
The canonical SMILES for 2-amino-4-fluoro-N-thiophen-3-ylbenzamide is Nc1cc(F)ccc1C(=O)Nc1ccsc1.
What is the InChIKey of 2-amino-4-fluoro-N-thiophen-3-ylbenzamide?
The InChIKey is KJUFZYNDERLVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-6H,13H2,(H,14,15).
What are the key properties of 2-amino-4-fluoro-N-thiophen-3-ylbenzamide?
2-amino-4-fluoro-N-thiophen-3-ylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 66354589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).