2-[(2-carbamoylphenyl)diselanyl]benzamide

C14H12N2O2Se2 — CID 14119495

IUPAC2-[(2-carbamoylphenyl)diselanyl]benzamide
SMILESNC(=O)c1ccccc1[Se][Se]c1ccccc1C(N)=O
InChIInChI=1S/C14H12N2O2Se2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKeyVFRMMGHFZZZHAL-UHFFFAOYSA-N
MW398.18 g/mol
LogP-0.84
Rot. Bonds5

About 2-[(2-carbamoylphenyl)diselanyl]benzamide

2-[(2-carbamoylphenyl)diselanyl]benzamide (PubChem CID 14119495) has the molecular formula C14H12N2O2Se2 and a molecular weight of 398.18 g/mol. Its IUPAC name is 2-[(2-carbamoylphenyl)diselanyl]benzamide.

Molecular Properties

Compound Name2-[(2-carbamoylphenyl)diselanyl]benzamide
PubChem CID14119495
Molecular FormulaC14H12N2O2Se2
Molecular Weight398.18 g/mol
Exact Mass399.92
IUPAC Name2-[(2-carbamoylphenyl)diselanyl]benzamide
SMILESNC(=O)c1ccccc1[Se][Se]c1ccccc1C(N)=O
InChIInChI=1S/C14H12N2O2Se2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKeyVFRMMGHFZZZHAL-UHFFFAOYSA-N
XLogP-0.84
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.18
LogP ≤ 5-0.84
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 2-[(2-carbamoylphenyl)diselanyl]benzamide?
The IUPAC name of 2-[(2-carbamoylphenyl)diselanyl]benzamide (CID 14119495) is 2-[(2-carbamoylphenyl)diselanyl]benzamide.
What is the SMILES notation for 2-[(2-carbamoylphenyl)diselanyl]benzamide?
The canonical SMILES for 2-[(2-carbamoylphenyl)diselanyl]benzamide is NC(=O)c1ccccc1[Se][Se]c1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-carbamoylphenyl)diselanyl]benzamide?
The InChIKey is VFRMMGHFZZZHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2Se2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18).
What are the key properties of 2-[(2-carbamoylphenyl)diselanyl]benzamide?
2-[(2-carbamoylphenyl)diselanyl]benzamide has a molecular weight of 398.18 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoylphenyl)diselanyl]benzamide is sourced from PubChem (CID 14119495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).