2-hydroperoxyselanyl-N-phenylbenzamide

C13H11NO3Se — CID 101103124

IUPAC2-hydroperoxyselanyl-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1[Se]OO
InChIInChI=1S/C13H11NO3Se/c15-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-17-16/h1-9,16H,(H,14,15)
InChIKeyVVOQFMVYVFVJGX-UHFFFAOYSA-N
MW308.19 g/mol
LogP1.67
Rot. Bonds4

About 2-hydroperoxyselanyl-N-phenylbenzamide

2-hydroperoxyselanyl-N-phenylbenzamide (PubChem CID 101103124) has the molecular formula C13H11NO3Se and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-hydroperoxyselanyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-hydroperoxyselanyl-N-phenylbenzamide
PubChem CID101103124
Molecular FormulaC13H11NO3Se
Molecular Weight308.19 g/mol
Exact Mass308.99
IUPAC Name2-hydroperoxyselanyl-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1[Se]OO
InChIInChI=1S/C13H11NO3Se/c15-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-17-16/h1-9,16H,(H,14,15)
InChIKeyVVOQFMVYVFVJGX-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-[2-(phenylcarbamoyl)phenyl]selanyloxyselanylbenzamide
CID 139266638
2-hydroxy-N-phenylbenzamide
CID 157209959
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
(2R)-2-amino-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoic acid
CID 18604983
2-hydrazinyl-N-phenylbenzamide
CID 12569370
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
tris[2-(phenylcarbamoyl)phenyl] phosphate
CID 121416140
2-phenoxy-N-phenylbenzamide
CID 3402306
2-hydroxy-3-[2-(phenylcarbamoyl)phenyl]selanyl-4-sulfanylbenzoic acid
CID 88655518

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxyselanyl-N-phenylbenzamide?
The IUPAC name of 2-hydroperoxyselanyl-N-phenylbenzamide (CID 101103124) is 2-hydroperoxyselanyl-N-phenylbenzamide.
What is the SMILES notation for 2-hydroperoxyselanyl-N-phenylbenzamide?
The canonical SMILES for 2-hydroperoxyselanyl-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1[Se]OO.
What is the InChIKey of 2-hydroperoxyselanyl-N-phenylbenzamide?
The InChIKey is VVOQFMVYVFVJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3Se/c15-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-17-16/h1-9,16H,(H,14,15).
What are the key properties of 2-hydroperoxyselanyl-N-phenylbenzamide?
2-hydroperoxyselanyl-N-phenylbenzamide has a molecular weight of 308.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxyselanyl-N-phenylbenzamide is sourced from PubChem (CID 101103124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).