4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide

C15H17FN2OS — CID 80526929

IUPAC4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(N)cc1F)c1cccs1
InChIInChI=1S/C15H17FN2OS/c1-15(2,13-4-3-7-20-13)9-18-14(19)11-6-5-10(17)8-12(11)16/h3-8H,9,17H2,1-2H3,(H,18,19)
InChIKeySLPGDWDLKNNMPM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.18
Rot. Bonds4

About 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide

4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide (PubChem CID 80526929) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
PubChem CID80526929
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(N)cc1F)c1cccs1
InChIInChI=1S/C15H17FN2OS/c1-15(2,13-4-3-7-20-13)9-18-14(19)11-6-5-10(17)8-12(11)16/h3-8H,9,17H2,1-2H3,(H,18,19)
InChIKeySLPGDWDLKNNMPM-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide 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 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide (CID 80526929) is 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide is CC(C)(CNC(=O)c1ccc(N)cc1F)c1cccs1.
What is the InChIKey of 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The InChIKey is SLPGDWDLKNNMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-15(2,13-4-3-7-20-13)9-18-14(19)11-6-5-10(17)8-12(11)16/h3-8H,9,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 80526929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).