2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide

C20H19ClNOP — CID 12388997

IUPAC2-[chloro(triphenyl)-lambda5-phosphanyl]acetamide
SMILESC1=CC=C(C=C1)P(CC(=O)N)(C2=CC=CC=C2)(C3=CC=CC=C3)Cl
InChIInChI=1S/C20H19ClNOP/c21-24(16-20(22)23,17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,22,23)
InChIKeyJJBOZRKBFMCRTJ-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.40
Rot. Bonds5

About 2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide

2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide (PubChem CID 12388997) has the molecular formula C20H19ClNOP and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-[chloro(triphenyl)-lambda5-phosphanyl]acetamide.

Molecular Properties

Compound Name2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide
PubChem CID12388997
Molecular FormulaC20H19ClNOP
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name2-[chloro(triphenyl)-lambda5-phosphanyl]acetamide
SMILESC1=CC=C(C=C1)P(CC(=O)N)(C2=CC=CC=C2)(C3=CC=CC=C3)Cl
InChIInChI=1S/C20H19ClNOP/c21-24(16-20(22)23,17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,22,23)
InChIKeyJJBOZRKBFMCRTJ-UHFFFAOYSA-N
XLogP4.40
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity389

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.40
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

Acetonyltriphenylphosphonium chloride
CID 196994
2-(Triphenylphosphoranylidene)acetamide
CID 38099
2-(Triphenylphosphaniumyl)ethanimidate--hydrogen chloride (1/1)
CID 212892
N-carbamoyl-2-(triphenylphosphoranylidene)acetamide
CID 4057195
Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
2,2-Dichloro-1-(triphenylphosphonio)vinyl formamide perchlorate
CID 24901759
[(E)-1-acetamido-2-chloro-2-methylsulfanylethenyl]-triphenylphosphanium
CID 2830120
(1-Acetamido-2-chloro-2-methylsulfanylethenyl)-triphenylphosphanium
CID 3764497
(5-Amino-5-oxopentyl)-triphenylphosphanium bromide
CID 90674646
(2-Amino-2-oxoethyl)-triphenylphosphanium
CID 212893
Diphenylphosphorylacetamide
CID 796633
N-(Triphenyl-lambda5-phosphanylidene)acetamide
CID 3896273

Frequently Asked Questions

What is the IUPAC name of 2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide?
The IUPAC name of 2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide (CID 12388997) is 2-[chloro(triphenyl)-lambda5-phosphanyl]acetamide.
What is the SMILES notation for 2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide?
The canonical SMILES for 2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide is C1=CC=C(C=C1)P(CC(=O)N)(C2=CC=CC=C2)(C3=CC=CC=C3)Cl.
What is the InChIKey of 2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide?
The InChIKey is JJBOZRKBFMCRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClNOP/c21-24(16-20(22)23,17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,22,23).
What are the key properties of 2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide?
2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide has a molecular weight of 355.80 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide is sourced from PubChem (CID 12388997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).