2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide

C28H22Br2N2O2Te2 — CID 139235992

IUPAC2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide
SMILESO=C(Nc1ccccc1[Te][Te]c1ccccc1NC(=O)C(Br)c1ccccc1)C(Br)c1ccccc1
InChIInChI=1S/C28H22Br2N2O2Te2/c29-25(19-11-3-1-4-12-19)27(33)31-21-15-7-9-17-23(21)35-36-24-18-10-8-16-22(24)32-28(34)26(30)20-13-5-2-6-14-20/h1-18,25-26H,(H,31,33)(H,32,34)
InChIKeyPHLMIKFBUPZOBJ-UHFFFAOYSA-N
MW833.50 g/mol
LogP5.11
Rot. Bonds9

About 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide

2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide (PubChem CID 139235992) has the molecular formula C28H22Br2N2O2Te2 and a molecular weight of 833.50 g/mol. Its IUPAC name is 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide
PubChem CID139235992
Molecular FormulaC28H22Br2N2O2Te2
Molecular Weight833.50 g/mol
Exact Mass835.82
IUPAC Name2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide
SMILESO=C(Nc1ccccc1[Te][Te]c1ccccc1NC(=O)C(Br)c1ccccc1)C(Br)c1ccccc1
InChIInChI=1S/C28H22Br2N2O2Te2/c29-25(19-11-3-1-4-12-19)27(33)31-21-15-7-9-17-23(21)35-36-24-18-10-8-16-22(24)32-28(34)26(30)20-13-5-2-6-14-20/h1-18,25-26H,(H,31,33)(H,32,34)
InChIKeyPHLMIKFBUPZOBJ-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.50
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide (CID 139235992) is 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide is O=C(Nc1ccccc1[Te][Te]c1ccccc1NC(=O)C(Br)c1ccccc1)C(Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide?
The InChIKey is PHLMIKFBUPZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Br2N2O2Te2/c29-25(19-11-3-1-4-12-19)27(33)31-21-15-7-9-17-23(21)35-36-24-18-10-8-16-22(24)32-28(34)26(30)20-13-5-2-6-14-20/h1-18,25-26H,(H,31,33)(H,32,34).
What are the key properties of 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide?
2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide has a molecular weight of 833.50 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 139235992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).