N-(2,1,3-benzoselenadiazol-4-yl)acetamide

C8H7N3OSe — CID 3089118

IUPACN-(2,1,3-benzoselenadiazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2n[se]nc12
InChIInChI=1S/C8H7N3OSe/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKeyBSOPSIUKCRMQRU-UHFFFAOYSA-N
MW240.12 g/mol
LogP0.65
Rot. Bonds1

About N-(2,1,3-benzoselenadiazol-4-yl)acetamide

N-(2,1,3-benzoselenadiazol-4-yl)acetamide (PubChem CID 3089118) has the molecular formula C8H7N3OSe and a molecular weight of 240.12 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)acetamide
PubChem CID3089118
Molecular FormulaC8H7N3OSe
Molecular Weight240.12 g/mol
Exact Mass240.98
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2n[se]nc12
InChIInChI=1S/C8H7N3OSe/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKeyBSOPSIUKCRMQRU-UHFFFAOYSA-N
XLogP0.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
N-Acetylbenzotriazole
CID 87784
1-(2,1,3-Benzothiadiazol-4-yl)-3-phenylurea
CID 748227
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
CID 676138
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864
N-{4-[(4-Nitro-2,1,3-benzoxadiazol-5-YL)amino]phenyl}acetamide
CID 3153584
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 842936
2,2,2-Trifluoro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)acetamide
CID 627833
N-(2,1,3-Benzoxadiazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 630316

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)acetamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)acetamide (CID 3089118) is N-(2,1,3-benzoselenadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)acetamide is CC(=O)Nc1cccc2n[se]nc12.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)acetamide?
The InChIKey is BSOPSIUKCRMQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OSe/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)acetamide?
N-(2,1,3-benzoselenadiazol-4-yl)acetamide has a molecular weight of 240.12 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoselenadiazol-4-yl)acetamide is sourced from PubChem (CID 3089118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).