[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium

C33H25ClFNOP+ — CID 11964770

IUPAC[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
SMILESO=C(N/C(=C(\Cl)c1ccc(F)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24ClFNOP/c34-31(25-21-23-27(35)24-22-25)33(36-32(37)26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H/p+1/b33-31+
InChIKeyPHGWIRSCZBBJGB-QOSDPKFLSA-O
MW536.99 g/mol
LogP7.11
Rot. Bonds7

About [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium

[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium (PubChem CID 11964770) has the molecular formula C33H25ClFNOP+ and a molecular weight of 536.99 g/mol. Its IUPAC name is [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
PubChem CID11964770
Molecular FormulaC33H25ClFNOP+
Molecular Weight536.99 g/mol
Exact Mass536.13
IUPAC Name[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
SMILESO=C(N/C(=C(\Cl)c1ccc(F)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24ClFNOP/c34-31(25-21-23-27(35)24-22-25)33(36-32(37)26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H/p+1/b33-31+
InChIKeyPHGWIRSCZBBJGB-QOSDPKFLSA-O
XLogP7.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.99
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
CID 126958406
(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid
CID 126959055
[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277
[(E)-2-benzamido-2-carboxy-1-chloroethenyl]-triphenylphosphanium
CID 45148539
[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride
CID 44657111
[(Z)-1-benzamido-2-chloro-2-ethylsulfanylethenyl]-triphenylphosphanium;perchloric acid
CID 126957753
(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride
CID 2784111
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide
CID 4603771
[(E)-2-benzamido-1-chloro-3-methoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 45136448

Frequently Asked Questions

What is the IUPAC name of [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium?
The IUPAC name of [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium (CID 11964770) is [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium?
The canonical SMILES for [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium is O=C(N/C(=C(\Cl)c1ccc(F)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium?
The InChIKey is PHGWIRSCZBBJGB-QOSDPKFLSA-O. The full InChI is InChI=1S/C33H24ClFNOP/c34-31(25-21-23-27(35)24-22-25)33(36-32(37)26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H/p+1/b33-31+.
What are the key properties of [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium?
[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium has a molecular weight of 536.99 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium is sourced from PubChem (CID 11964770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).