2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide

C24H27AsBrNO — CID 14188009

IUPAC2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C[As](Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27AsBrNO/c1-20(2)19-27-24(28)18-25(26,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,27,28)
InChIKeyCGRRMJMZHVCHKY-UHFFFAOYSA-N
MW500.31 g/mol
LogP3.77
Rot. Bonds7

About 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide

2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide (PubChem CID 14188009) has the molecular formula C24H27AsBrNO and a molecular weight of 500.31 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide
PubChem CID14188009
Molecular FormulaC24H27AsBrNO
Molecular Weight500.31 g/mol
Exact Mass499.05
IUPAC Name2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C[As](Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27AsBrNO/c1-20(2)19-27-24(28)18-25(26,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,27,28)
InChIKeyCGRRMJMZHVCHKY-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide (CID 14188009) is 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)C[As](Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is CGRRMJMZHVCHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27AsBrNO/c1-20(2)19-27-24(28)18-25(26,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,27,28).
What are the key properties of 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide?
2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 500.31 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 14188009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).