tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide

C28H27Cl3NO4P2+ — CID 126957728

IUPACtetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide
SMILESCOP(=O)(NC(=O)C(Cl)(Cl)Cl)OC.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.C4H7Cl3NO4P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-11-13(10,12-2)8-3(9)4(5,6)7/h1-20H;1-2H3,(H,8,9,10)/q+1;
InChIKeyFFYRLKLSSKKHAY-UHFFFAOYSA-N
MW609.83 g/mol
LogP6.18
Rot. Bonds7

About tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide

tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide (PubChem CID 126957728) has the molecular formula C28H27Cl3NO4P2+ and a molecular weight of 609.83 g/mol. Its IUPAC name is tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide.

Molecular Properties

Compound Nametetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide
PubChem CID126957728
Molecular FormulaC28H27Cl3NO4P2+
Molecular Weight609.83 g/mol
Exact Mass608.05
IUPAC Nametetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide
SMILESCOP(=O)(NC(=O)C(Cl)(Cl)Cl)OC.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.C4H7Cl3NO4P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-11-13(10,12-2)8-3(9)4(5,6)7/h1-20H;1-2H3,(H,8,9,10)/q+1;
InChIKeyFFYRLKLSSKKHAY-UHFFFAOYSA-N
XLogP6.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.83
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl(propan-2-yl)azanium;methoxy-[(2,2,2-trichloroacetyl)amino]phosphinate
CID 139073451
(4-methoxycarbonylphenyl)-triphenylphosphanium
CID 19810472
1-dimethoxyphosphoryl-2-phenylhydrazine
CID 117066683
N-benzhydryl-2,2,2-trichloroacetamide
CID 3685786
N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
1-bis(benzylamino)phosphoryl-2,2,2-trichloroethanone
CID 102482763
benzene-1,3-dicarboxylic acid;tetraphenylphosphanium
CID 146567535
(4-acetylphenyl)-triphenylphosphanium
CID 12663643
3-methoxycarbonylbenzenesulfonic acid;tetraphenylphosphanium
CID 87593722
palladium;tetraphenylphosphanium
CID 76575044
[methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate
CID 10267440
methyl carbonobromidate;methyl(triphenyl)phosphanium
CID 146562792

Frequently Asked Questions

What is the IUPAC name of tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide?
The IUPAC name of tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide (CID 126957728) is tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide.
What is the SMILES notation for tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide?
The canonical SMILES for tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide is COP(=O)(NC(=O)C(Cl)(Cl)Cl)OC.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide?
The InChIKey is FFYRLKLSSKKHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20P.C4H7Cl3NO4P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-11-13(10,12-2)8-3(9)4(5,6)7/h1-20H;1-2H3,(H,8,9,10)/q+1;.
What are the key properties of tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide?
tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide has a molecular weight of 609.83 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylphosphanium;2,2,2-trichloro-N-dimethoxyphosphorylacetamide is sourced from PubChem (CID 126957728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).