2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

C15H12FN3O2S — CID 2989641

IUPAC2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)COc1ccccc1F
InChIInChI=1S/C15H12FN3O2S/c1-9-6-7-11-15(19-22-18-11)14(9)17-13(20)8-21-12-5-3-2-4-10(12)16/h2-7H,8H2,1H3,(H,17,20)
InChIKeySHIKGRXBQAGCQF-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.16
Rot. Bonds4

About 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 2989641) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID2989641
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)COc1ccccc1F
InChIInChI=1S/C15H12FN3O2S/c1-9-6-7-11-15(19-22-18-11)14(9)17-13(20)8-21-12-5-3-2-4-10(12)16/h2-7H,8H2,1H3,(H,17,20)
InChIKeySHIKGRXBQAGCQF-UHFFFAOYSA-N
XLogP3.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (CID 2989641) is 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is Cc1ccc2nsnc2c1NC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is SHIKGRXBQAGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-9-6-7-11-15(19-22-18-11)14(9)17-13(20)8-21-12-5-3-2-4-10(12)16/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 2989641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).