2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide

C24H27ClNOP — CID 12917275

IUPAC2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27ClNOP/c1-20(2)18-26-24(27)19-28(25,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,26,27)
InChIKeyCALWOARVPDQYFL-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.44
Rot. Bonds7

About 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide

2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide (PubChem CID 12917275) has the molecular formula C24H27ClNOP and a molecular weight of 411.91 g/mol. Its IUPAC name is 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide
PubChem CID12917275
Molecular FormulaC24H27ClNOP
Molecular Weight411.91 g/mol
Exact Mass411.15
IUPAC Name2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27ClNOP/c1-20(2)18-26-24(27)19-28(25,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,26,27)
InChIKeyCALWOARVPDQYFL-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.44
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

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
((2,2-Dimethyl-propionylamino)-methyl)-triphenyl-phosphonium, chloride
CID 126959458
N-[(2S,3S)-1-[bromo(triphenyl)-lambda5-phosphanyl]-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
CID 164677143
[(2S,3S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentyl]-triphenylphosphanium bromide
CID 176425127
2-(Diphenylphosphoryl)-N,N-bis(2-methylpropyl)acetamide
CID 13972021
Methylcarbamoylmethyl-triphenyl-phosphonium chloride
CID 85777853
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-methylacetamide
CID 134977828
(2,2-Dimethylpropanoylamino)methyl-triphenylphosphanium
CID 4061676
Triphenyl(pivalamidomethyl)phosphonium chloride
CID 11964999
Triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 74081310
(2R)-(2-trifluoroacetamidopropyl)triphenylphosphonium iodide
CID 86661754

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide (CID 12917275) is 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is CALWOARVPDQYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClNOP/c1-20(2)18-26-24(27)19-28(25,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3,(H,26,27).
What are the key properties of 2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide?
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 411.91 g/mol, XLogP of 4.44, 7 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]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 12917275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).