N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide

C32H32N2O2Se2 — CID 118716206

IUPACN-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C32H32N2O2Se2/c1-23(21-25-13-5-3-6-14-25)33-31(35)27-17-9-11-19-29(27)37-38-30-20-12-10-18-28(30)32(36)34-24(2)22-26-15-7-4-8-16-26/h3-20,23-24H,21-22H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyHGTIPIULJRUADW-UHFFFAOYSA-N
MW634.54 g/mol
LogP3.68
Rot. Bonds11

About N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide

N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide (PubChem CID 118716206) has the molecular formula C32H32N2O2Se2 and a molecular weight of 634.54 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
PubChem CID118716206
Molecular FormulaC32H32N2O2Se2
Molecular Weight634.54 g/mol
Exact Mass636.08
IUPAC NameN-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C32H32N2O2Se2/c1-23(21-25-13-5-3-6-14-25)33-31(35)27-17-9-11-19-29(27)37-38-30-20-12-10-18-28(30)32(36)34-24(2)22-26-15-7-4-8-16-26/h3-20,23-24H,21-22H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyHGTIPIULJRUADW-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide (CID 118716206) is N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide is CC(Cc1ccccc1)NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC(C)Cc1ccccc1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide?
The InChIKey is HGTIPIULJRUADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2Se2/c1-23(21-25-13-5-3-6-14-25)33-31(35)27-17-9-11-19-29(27)37-38-30-20-12-10-18-28(30)32(36)34-24(2)22-26-15-7-4-8-16-26/h3-20,23-24H,21-22H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide?
N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide has a molecular weight of 634.54 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-2-[[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]diselanyl]benzamide is sourced from PubChem (CID 118716206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).