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

C14H19FN2O2S — CID 61106402

IUPAC5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cc(N)ccc1F)C1CCSC1
InChIInChI=1S/C14H19FN2O2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)12-8-10(16)2-3-13(12)15/h2-3,8,11H,4-7,9,16H2,1H3
InChIKeyTWHFDWFNFFATIS-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.00
Rot. Bonds5

About 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (PubChem CID 61106402) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
PubChem CID61106402
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cc(N)ccc1F)C1CCSC1
InChIInChI=1S/C14H19FN2O2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)12-8-10(16)2-3-13(12)15/h2-3,8,11H,4-7,9,16H2,1H3
InChIKeyTWHFDWFNFFATIS-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (CID 61106402) is 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1cc(N)ccc1F)C1CCSC1.
What is the InChIKey of 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The InChIKey is TWHFDWFNFFATIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)12-8-10(16)2-3-13(12)15/h2-3,8,11H,4-7,9,16H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
5-amino-2-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 5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 61106402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).