[2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride

C23H22Cl3N2OP — CID 11964995

IUPAC[2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride
SMILESCN(C)C(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C23H21Cl2N2OP.ClH/c1-27(2)23(28)26-22(21(24)25)29(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H
InChIKeyZRPISEKRXWIRGW-UHFFFAOYSA-N
MW479.78 g/mol
LogP1.86
Rot. Bonds5

About [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride

[2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride (PubChem CID 11964995) has the molecular formula C23H22Cl3N2OP and a molecular weight of 479.78 g/mol. Its IUPAC name is [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride.

Molecular Properties

Compound Name[2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride
PubChem CID11964995
Molecular FormulaC23H22Cl3N2OP
Molecular Weight479.78 g/mol
Exact Mass478.05
IUPAC Name[2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride
SMILESCN(C)C(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C23H21Cl2N2OP.ClH/c1-27(2)23(28)26-22(21(24)25)29(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H
InChIKeyZRPISEKRXWIRGW-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.78
LogP ≤ 51.86
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 [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride?
The IUPAC name of [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride (CID 11964995) is [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride.
What is the SMILES notation for [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride?
The canonical SMILES for [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride is CN(C)C(=O)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride?
The InChIKey is ZRPISEKRXWIRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N2OP.ClH/c1-27(2)23(28)26-22(21(24)25)29(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H.
What are the key properties of [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride?
[2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride has a molecular weight of 479.78 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloro-1-(dimethylcarbamoylamino)ethenyl]-triphenylphosphanium chloride is sourced from PubChem (CID 11964995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).