2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide

C20H15Cl3NOP — CID 12610811

IUPAC2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESO=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C20H15Cl3NOP/c21-20(22,23)19(25)24-26(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyCGSFIICIMVTODK-UHFFFAOYSA-N
MW422.68 g/mol
LogP5.06
Rot. Bonds3

About 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide

2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide (PubChem CID 12610811) has the molecular formula C20H15Cl3NOP and a molecular weight of 422.68 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide
PubChem CID12610811
Molecular FormulaC20H15Cl3NOP
Molecular Weight422.68 g/mol
Exact Mass421.00
IUPAC Name2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESO=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C20H15Cl3NOP/c21-20(22,23)19(25)24-26(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyCGSFIICIMVTODK-UHFFFAOYSA-N
XLogP5.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.68
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide (CID 12610811) is 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide is O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide?
The InChIKey is CGSFIICIMVTODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3NOP/c21-20(22,23)19(25)24-26(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide?
2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide has a molecular weight of 422.68 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(triphenyl-lambda5-phosphanylidene)acetamide is sourced from PubChem (CID 12610811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).