5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide

C25H29BrNOP — CID 90049954

IUPAC5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide
SMILESCCNC(=O)CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29BrNOP/c1-2-27-25(28)20-12-13-21-29(26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,2,12-13,20-21H2,1H3,(H,27,28)
InChIKeyYKABPDFFGOSWHO-UHFFFAOYSA-N
MW470.39 g/mol
LogP5.13
Rot. Bonds9

About 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide

5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide (PubChem CID 90049954) has the molecular formula C25H29BrNOP and a molecular weight of 470.39 g/mol. Its IUPAC name is 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide.

Molecular Properties

Compound Name5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide
PubChem CID90049954
Molecular FormulaC25H29BrNOP
Molecular Weight470.39 g/mol
Exact Mass469.12
IUPAC Name5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide
SMILESCCNC(=O)CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29BrNOP/c1-2-27-25(28)20-12-13-21-29(26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,2,12-13,20-21H2,1H3,(H,27,28)
InChIKeyYKABPDFFGOSWHO-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
[4-(Acetylaminocarbonyl)butyl]triphenylphosphonium bromide
CID 20488635
(5-Amino-5-oxopentyl)-triphenylphosphanium bromide
CID 90674646
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348
((2,2-Dimethyl-propionylamino)-methyl)-triphenyl-phosphonium, chloride
CID 126959458
(1-(Dimethylcarbamoyl)ethyl)triphenylphosphonium bromide
CID 126960652
N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460
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
Methylcarbamoylmethyl-triphenyl-phosphonium chloride
CID 85777853
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-methylacetamide
CID 134977828
(2,2-Dimethylpropanoylamino)methyl-triphenylphosphanium
CID 4061676

Frequently Asked Questions

What is the IUPAC name of 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide?
The IUPAC name of 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide (CID 90049954) is 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide.
What is the SMILES notation for 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide?
The canonical SMILES for 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide is CCNC(=O)CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide?
The InChIKey is YKABPDFFGOSWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrNOP/c1-2-27-25(28)20-12-13-21-29(26,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,2,12-13,20-21H2,1H3,(H,27,28).
What are the key properties of 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide?
5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide has a molecular weight of 470.39 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(triphenyl)-λ5-phosphanyl]-N-ethylpentanamide is sourced from PubChem (CID 90049954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).