2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide

C24H27BrNOP — CID 134872013

IUPAC2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrNOP/c1-3-26(4-2)24(27)20-28(25,21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3
InChIKeyWLZNOMYWRHGQML-UHFFFAOYSA-N
MW456.36 g/mol
LogP4.69
Rot. Bonds7

About 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide

2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide (PubChem CID 134872013) has the molecular formula C24H27BrNOP and a molecular weight of 456.36 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide
PubChem CID134872013
Molecular FormulaC24H27BrNOP
Molecular Weight456.36 g/mol
Exact Mass455.10
IUPAC Name2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrNOP/c1-3-26(4-2)24(27)20-28(25,21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3
InChIKeyWLZNOMYWRHGQML-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide 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

N-Methoxy-N-methyl(triphenylphosphoranylidene)acetamide
CID 2773656
3-(Dimethylamino)propyl-triphenylphosphanium;bromide
CID 15982517
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
(2-(Dimethylamino)ethyl)triphenylphosphonium bromide
CID 2724136
[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl](triphenyl)phosphanium bromide
CID 24197585
2-(Dimethylcarbamoyl)prop-2-enyl-triphenylphosphanium bromide
CID 164611581
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348
(1-(Dimethylcarbamoyl)ethyl)triphenylphosphonium bromide
CID 126960652

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide (CID 134872013) is 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide?
The InChIKey is WLZNOMYWRHGQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrNOP/c1-3-26(4-2)24(27)20-28(25,21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3.
What are the key properties of 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide?
2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide has a molecular weight of 456.36 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(triphenyl)-λ5-phosphanyl]-N,N-diethylacetamide is sourced from PubChem (CID 134872013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).