N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide

C22H19NOSe — CID 122364296

IUPACN,N-dibenzyl-2-oxo-2-phenylethaneselenoamide
SMILESO=C(C(=[Se])N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NOSe/c24-21(20-14-8-3-9-15-20)22(25)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyGWEMDWQZNVJUQA-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.87
Rot. Bonds7

About N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide

N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide (PubChem CID 122364296) has the molecular formula C22H19NOSe and a molecular weight of 392.36 g/mol. Its IUPAC name is N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-oxo-2-phenylethaneselenoamide
PubChem CID122364296
Molecular FormulaC22H19NOSe
Molecular Weight392.36 g/mol
Exact Mass393.06
IUPAC NameN,N-dibenzyl-2-oxo-2-phenylethaneselenoamide
SMILESO=C(C(=[Se])N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NOSe/c24-21(20-14-8-3-9-15-20)22(25)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyGWEMDWQZNVJUQA-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.87
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

[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
carbamothioic S-acid;dibenzylcarbamothioic S-acid
CID 87091037
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
lithium N,N-dibenzylcarbamoselenoate
CID 102135348
N-benzyl-N-phenacylacetamide
CID 10587901
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide?
The IUPAC name of N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide (CID 122364296) is N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide.
What is the SMILES notation for N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide?
The canonical SMILES for N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide is O=C(C(=[Se])N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide?
The InChIKey is GWEMDWQZNVJUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOSe/c24-21(20-14-8-3-9-15-20)22(25)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2.
What are the key properties of N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide?
N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide has a molecular weight of 392.36 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-oxo-2-phenylethaneselenoamide is sourced from PubChem (CID 122364296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).