[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride

C28H23Cl3NOP — CID 11964917

IUPAC[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride
SMILESCc1ccc(C(=O)NC(=C(Cl)Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C28H22Cl2NOP.ClH/c1-21-17-19-22(20-18-21)27(32)31-28(26(29)30)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,1H3;1H
InChIKeyFNZIJSSKNCWVOM-UHFFFAOYSA-N
MW526.83 g/mol
LogP3.33
Rot. Bonds6

About [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride

[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride (PubChem CID 11964917) has the molecular formula C28H23Cl3NOP and a molecular weight of 526.83 g/mol. Its IUPAC name is [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride.

Molecular Properties

Compound Name[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride
PubChem CID11964917
Molecular FormulaC28H23Cl3NOP
Molecular Weight526.83 g/mol
Exact Mass525.06
IUPAC Name[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride
SMILESCc1ccc(C(=O)NC(=C(Cl)Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C28H22Cl2NOP.ClH/c1-21-17-19-22(20-18-21)27(32)31-28(26(29)30)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,1H3;1H
InChIKeyFNZIJSSKNCWVOM-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.83
LogP ≤ 53.33
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-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid
CID 126959055
[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride
CID 44657111
[2-chloro-2-(2-methoxy-2-oxoethyl)sulfanyl-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium
CID 71951269
(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium iodide
CID 45049454
[(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-[(4-methylbenzoyl)amino]-1-methylsulfanyl-3-oxo-3-phenylprop-1-en-2-yl]-triphenylphosphanium iodide
CID 42917227
[(E)-1-chloro-3-(4-methylanilino)-2-[(4-methylbenzoyl)amino]-3-oxoprop-1-enyl]-triphenylphosphanium perchlorate
CID 75366399
(4-methylbenzoyl)carbamic acid
CID 89120559
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
CID 3090259
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
CID 126958406

Frequently Asked Questions

What is the IUPAC name of [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride?
The IUPAC name of [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride (CID 11964917) is [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride.
What is the SMILES notation for [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride?
The canonical SMILES for [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride is Cc1ccc(C(=O)NC(=C(Cl)Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride?
The InChIKey is FNZIJSSKNCWVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2NOP.ClH/c1-21-17-19-22(20-18-21)27(32)31-28(26(29)30)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-20H,1H3;1H.
What are the key properties of [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride?
[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride has a molecular weight of 526.83 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride is sourced from PubChem (CID 11964917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).