2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one

C13H7Cl2NOSe — CID 166626801

IUPAC2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2NOSe/c14-8-5-6-11(10(15)7-8)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H
InChIKeyBALAFTQNUGNRHQ-UHFFFAOYSA-N
MW343.07 g/mol
LogP3.35
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one

2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one (PubChem CID 166626801) has the molecular formula C13H7Cl2NOSe and a molecular weight of 343.07 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one
PubChem CID166626801
Molecular FormulaC13H7Cl2NOSe
Molecular Weight343.07 g/mol
Exact Mass342.91
IUPAC Name2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2NOSe/c14-8-5-6-11(10(15)7-8)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H
InChIKeyBALAFTQNUGNRHQ-UHFFFAOYSA-N
XLogP3.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ebselen
CID 3194
1-(2,6-Dichlorophenyl)indolin-2-one
CID 27211
Phthalimide, N-(p-chlorophenyl)-
CID 81867
Benzamide, N-(4-chlorophenyl)-
CID 96646
2-(4-Chlorophenyl)-1,2-benzisoselenazol-3(2H)-one
CID 368648
N-(2-Chlorophenyl)benzamide
CID 13918
2-(4-Chlorophenyl)-1,2-benzothiazol-3-one
CID 11219195
2-(3-Chlorophenyl)-1,2-benzoselenazol-3-one
CID 13650134
2-(2-Chloro-4-methylphenyl)-1,2-benzoselenazol-3-one
CID 88621253
2-(3-Chloro-2-methylphenyl)-1,2-benzoselenazol-3-one
CID 88621283
2-(5-Chloro-2-methylphenyl)-1,2-benzoselenazol-3-one
CID 88621344
2-(3,5-Dichlorophenyl)-1,2-benzoselenazol-3-one
CID 141556019

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one (CID 166626801) is 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one?
The InChIKey is BALAFTQNUGNRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NOSe/c14-8-5-6-11(10(15)7-8)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H.
What are the key properties of 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one?
2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one has a molecular weight of 343.07 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 166626801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).