(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate

C27H22Cl2NO5P — CID 71952443

IUPAC(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
SMILESO=C(NC(=CCl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C27H21ClNOP.ClHO4/c28-21-26(29-27(30)22-13-5-1-6-14-22)31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-21H;(H,2,3,4,5)
InChIKeyCHUNJZCGJINLSO-UHFFFAOYSA-N
MW542.36 g/mol
LogP0.69
Rot. Bonds6

About (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate

(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate (PubChem CID 71952443) has the molecular formula C27H22Cl2NO5P and a molecular weight of 542.36 g/mol. Its IUPAC name is (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate.

Molecular Properties

Compound Name(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
PubChem CID71952443
Molecular FormulaC27H22Cl2NO5P
Molecular Weight542.36 g/mol
Exact Mass541.06
IUPAC Name(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
SMILESO=C(NC(=CCl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C27H21ClNOP.ClHO4/c28-21-26(29-27(30)22-13-5-1-6-14-22)31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-21H;(H,2,3,4,5)
InChIKeyCHUNJZCGJINLSO-UHFFFAOYSA-N
XLogP0.69
TPSA121.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride
CID 2784111
[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate
CID 45046059
(1-benzamido-2-ethylsulfanylethenyl)-triphenylphosphanium perchlorate
CID 71952488
[(Z)-1-benzamido-2-sulfanylethenyl]-triphenylphosphanium
CID 6912453
(Z)-2-[(4-chlorobenzoyl)amino]-2-triphenylphosphaniumylethenethiolate
CID 135443043
(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid
CID 126959055
(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium
CID 3090276
[(E)-2-benzamido-1-chloro-3-methoxy-3-oxoprop-1-enyl]-triphenylphosphanium perchlorate
CID 75366372
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
CID 126958406
[1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium perchlorate
CID 45048396
[1-benzamido-2-(4-methylphenyl)sulfonylethenyl]-triphenylphosphanium
CID 3282028
[(Z)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium perchlorate
CID 90489741

Frequently Asked Questions

What is the IUPAC name of (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate?
The IUPAC name of (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate (CID 71952443) is (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate.
What is the SMILES notation for (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate?
The canonical SMILES for (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate is O=C(NC(=CCl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate?
The InChIKey is CHUNJZCGJINLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClNOP.ClHO4/c28-21-26(29-27(30)22-13-5-1-6-14-22)31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h1-21H;(H,2,3,4,5).
What are the key properties of (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate?
(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate has a molecular weight of 542.36 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate is sourced from PubChem (CID 71952443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).