(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid

C27H22Cl3NO5P+ — CID 126959055

IUPAC(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid
SMILESO=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C27H20Cl2NOP.ClHO4/c28-25(29)27(30-26(31)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3,4)5/h1-20H;(H,2,3,4,5)/p+1
InChIKeyUOPNBZBUTFDWSB-UHFFFAOYSA-O
MW577.81 g/mol
LogP1.89
Rot. Bonds6

About (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid

(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid (PubChem CID 126959055) has the molecular formula C27H22Cl3NO5P+ and a molecular weight of 577.81 g/mol. Its IUPAC name is (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid.

Molecular Properties

Compound Name(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid
PubChem CID126959055
Molecular FormulaC27H22Cl3NO5P+
Molecular Weight577.81 g/mol
Exact Mass576.03
IUPAC Name(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid
SMILESO=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C27H20Cl2NOP.ClHO4/c28-25(29)27(30-26(31)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3,4)5/h1-20H;(H,2,3,4,5)/p+1
InChIKeyUOPNBZBUTFDWSB-UHFFFAOYSA-O
XLogP1.89
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.81
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
CID 126958406
[(Z)-1-benzamido-2-chloro-2-ethylsulfanylethenyl]-triphenylphosphanium;perchloric acid
CID 126957753
[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride
CID 11964917
[1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium perchlorate
CID 45048396
[(Z)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium perchlorate
CID 90489741
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium
CID 54733099
[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
CID 11964770
[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277
(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
CID 71952443
(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium iodide
CID 45049454
[(E)-2-benzamido-1-chloro-3-methoxy-3-oxoprop-1-enyl]-triphenylphosphanium perchlorate
CID 75366372
[(E)-2-benzamido-2-carboxy-1-chloroethenyl]-triphenylphosphanium
CID 45148539

Frequently Asked Questions

What is the IUPAC name of (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid?
The IUPAC name of (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid (CID 126959055) is (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid.
What is the SMILES notation for (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid?
The canonical SMILES for (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid is O=C(NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid?
The InChIKey is UOPNBZBUTFDWSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H20Cl2NOP.ClHO4/c28-25(29)27(30-26(31)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3,4)5/h1-20H;(H,2,3,4,5)/p+1.
What are the key properties of (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid?
(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid has a molecular weight of 577.81 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid is sourced from PubChem (CID 126959055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).