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

C12H15FN2OS — CID 43296709

IUPAC2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
SMILESCN(C(=O)c1cc(F)ccc1N)C1CCSC1
InChIInChI=1S/C12H15FN2OS/c1-15(9-4-5-17-7-9)12(16)10-6-8(13)2-3-11(10)14/h2-3,6,9H,4-5,7,14H2,1H3
InChIKeyCNBKDYWLJQFGOR-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.99
Rot. Bonds2

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

2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide (PubChem CID 43296709) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
PubChem CID43296709
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
SMILESCN(C(=O)c1cc(F)ccc1N)C1CCSC1
InChIInChI=1S/C12H15FN2OS/c1-15(9-4-5-17-7-9)12(16)10-6-8(13)2-3-11(10)14/h2-3,6,9H,4-5,7,14H2,1H3
InChIKeyCNBKDYWLJQFGOR-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide (CID 43296709) is 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide is CN(C(=O)c1cc(F)ccc1N)C1CCSC1.
What is the InChIKey of 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide?
The InChIKey is CNBKDYWLJQFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c1-15(9-4-5-17-7-9)12(16)10-6-8(13)2-3-11(10)14/h2-3,6,9H,4-5,7,14H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide?
2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide has a molecular weight of 254.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 43296709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).