N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine

C13H10FN3Se — CID 43230450

IUPACN-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine
SMILESFc1ccccc1CNc1cccc2n[se]nc12
InChIInChI=1S/C13H10FN3Se/c14-10-5-2-1-4-9(10)8-15-11-6-3-7-12-13(11)17-18-16-12/h1-7,15H,8H2
InChIKeyFLELOWUYAATEAW-UHFFFAOYSA-N
MW306.20 g/mol
LogP2.44
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine

N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43230450) has the molecular formula C13H10FN3Se and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine
PubChem CID43230450
Molecular FormulaC13H10FN3Se
Molecular Weight306.20 g/mol
Exact Mass307.00
IUPAC NameN-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine
SMILESFc1ccccc1CNc1cccc2n[se]nc12
InChIInChI=1S/C13H10FN3Se/c14-10-5-2-1-4-9(10)8-15-11-6-3-7-12-13(11)17-18-16-12/h1-7,15H,8H2
InChIKeyFLELOWUYAATEAW-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 52.44
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

7-nitro-N-(benzyl)benzofurazan-4-amine
CID 87615
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 71575340
N-(2-methylphenyl)-2,1,3-benzoxadiazol-4-amine
CID 755333
1-(2-fluorobenzyl)-1H-benzo[d][1,2,3]triazole
CID 2986847
N-(4-methylphenyl)-2,1,3-benzoxadiazol-4-amine
CID 3591841
N-Benzyl-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
CID 7098322
N-[(4-methylphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 71575227
N-[(2,5-difluorophenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 71575232
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 71575341
N-(cyclohexylmethyl)-2,1,3-benzothiadiazol-5-amine
CID 145964772
N-benzyl-2,1,3-benzothiadiazol-5-amine
CID 145972390

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine (CID 43230450) is N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine is Fc1ccccc1CNc1cccc2n[se]nc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is FLELOWUYAATEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3Se/c14-10-5-2-1-4-9(10)8-15-11-6-3-7-12-13(11)17-18-16-12/h1-7,15H,8H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine?
N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 306.20 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43230450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).