3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

C14H19FN2O2S — CID 61106231

IUPAC3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1ccc(F)c(N)c1)C1CCSC1
InChIInChI=1S/C14H19FN2O2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9,16H2,1H3
InChIKeyJXQXBCLMJYPVOP-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.00
Rot. Bonds5

About 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (PubChem CID 61106231) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
PubChem CID61106231
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1ccc(F)c(N)c1)C1CCSC1
InChIInChI=1S/C14H19FN2O2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9,16H2,1H3
InChIKeyJXQXBCLMJYPVOP-UHFFFAOYSA-N
XLogP2.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)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 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (CID 61106231) is 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1ccc(F)c(N)c1)C1CCSC1.
What is the InChIKey of 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The InChIKey is JXQXBCLMJYPVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9,16H2,1H3.
What are the key properties of 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide has a molecular weight of 298.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 61106231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).