N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide

C30H28N2O2Se2 — CID 118716205

IUPACN-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C30H28N2O2Se2/c33-29(31-21-19-23-11-3-1-4-12-23)25-15-7-9-17-27(25)35-36-28-18-10-8-16-26(28)30(34)32-22-20-24-13-5-2-6-14-24/h1-18H,19-22H2,(H,31,33)(H,32,34)
InChIKeyLLRRDIWTGATGJN-UHFFFAOYSA-N
MW606.49 g/mol
LogP2.91
Rot. Bonds11

About N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide

N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide (PubChem CID 118716205) has the molecular formula C30H28N2O2Se2 and a molecular weight of 606.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
PubChem CID118716205
Molecular FormulaC30H28N2O2Se2
Molecular Weight606.49 g/mol
Exact Mass608.05
IUPAC NameN-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C30H28N2O2Se2/c33-29(31-21-19-23-11-3-1-4-12-23)25-15-7-9-17-27(25)35-36-28-18-10-8-16-26(28)30(34)32-22-20-24-13-5-2-6-14-24/h1-18H,19-22H2,(H,31,33)(H,32,34)
InChIKeyLLRRDIWTGATGJN-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
2-benzylsulfonyl-N-(2-phenylethyl)benzamide
CID 5297896
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate
CID 19838192
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide (CID 118716205) is N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide is O=C(NCCc1ccccc1)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide?
The InChIKey is LLRRDIWTGATGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2Se2/c33-29(31-21-19-23-11-3-1-4-12-23)25-15-7-9-17-27(25)35-36-28-18-10-8-16-26(28)30(34)32-22-20-24-13-5-2-6-14-24/h1-18H,19-22H2,(H,31,33)(H,32,34).
What are the key properties of N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide?
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide has a molecular weight of 606.49 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide is sourced from PubChem (CID 118716205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).