(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride

C22H19Cl3NOP — CID 10983247

IUPAC(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride
SMILESCC(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H18Cl2NOP.ClH/c1-17(26)25-22(21(23)24)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,1H3;1H
InChIKeyYQACJOJZVNOTOK-UHFFFAOYSA-N
MW450.73 g/mol
LogP1.72
Rot. Bonds5

About (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride

(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride (PubChem CID 10983247) has the molecular formula C22H19Cl3NOP and a molecular weight of 450.73 g/mol. Its IUPAC name is (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride.

Molecular Properties

Compound Name(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride
PubChem CID10983247
Molecular FormulaC22H19Cl3NOP
Molecular Weight450.73 g/mol
Exact Mass449.03
IUPAC Name(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride
SMILESCC(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H18Cl2NOP.ClH/c1-17(26)25-22(21(23)24)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,1H3;1H
InChIKeyYQACJOJZVNOTOK-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.73
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride?
The IUPAC name of (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride (CID 10983247) is (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride.
What is the SMILES notation for (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride?
The canonical SMILES for (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride is CC(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride?
The InChIKey is YQACJOJZVNOTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2NOP.ClH/c1-17(26)25-22(21(23)24)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,1H3;1H.
What are the key properties of (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride?
(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride has a molecular weight of 450.73 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride is sourced from PubChem (CID 10983247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).