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

C27H22Cl2NOP — CID 2784111

IUPAC(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride
SMILESO=C(NC(=CCl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C27H21ClNOP.ClH/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;/h1-21H;1H
InChIKeyOEKYBYPPXRQOFU-UHFFFAOYSA-N
MW478.36 g/mol
LogP2.45
Rot. Bonds6

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

(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride (PubChem CID 2784111) has the molecular formula C27H22Cl2NOP and a molecular weight of 478.36 g/mol. Its IUPAC name is (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride.

Molecular Properties

Compound Name(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride
PubChem CID2784111
Molecular FormulaC27H22Cl2NOP
Molecular Weight478.36 g/mol
Exact Mass477.08
IUPAC Name(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride
SMILESO=C(NC(=CCl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C27H21ClNOP.ClH/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;/h1-21H;1H
InChIKeyOEKYBYPPXRQOFU-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
CID 71952443
[(Z)-1-benzamido-2-sulfanylethenyl]-triphenylphosphanium
CID 6912453
(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium
CID 3090276
(Z)-2-[(4-chlorobenzoyl)amino]-2-triphenylphosphaniumylethenethiolate
CID 135443043
[(E)-1-benzamido-2-ethylsulfanylethenyl]-triphenylphosphanium;hydroiodide
CID 126957776
[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate
CID 45046059
[(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium
CID 6018832
(1-benzamido-2-ethylsulfanylethenyl)-triphenylphosphanium perchlorate
CID 71952488
[1-benzamido-2-(4-methylphenyl)sulfonylethenyl]-triphenylphosphanium
CID 3282028
[(E)-2-benzamido-2-carboxy-1-chloroethenyl]-triphenylphosphanium
CID 45148539
(Z)-2-benzamido-3-chloroprop-2-enoic acid
CID 10977157
[2-(carboxymethylsulfanyl)-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium
CID 71951271

Frequently Asked Questions

What is the IUPAC name of (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride?
The IUPAC name of (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride (CID 2784111) is (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride.
What is the SMILES notation for (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride?
The canonical SMILES for (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride is O=C(NC(=CCl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride?
The InChIKey is OEKYBYPPXRQOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClNOP.ClH/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;/h1-21H;1H.
What are the key properties of (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride?
(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride has a molecular weight of 478.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride is sourced from PubChem (CID 2784111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).