3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide

C27H31BrNOP — CID 134977833

IUPAC3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide
SMILESO=C(CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C27H31BrNOP/c28-31(24-15-7-2-8-16-24,25-17-9-3-10-18-25,26-19-11-4-12-20-26)22-21-27(30)29-23-13-5-1-6-14-23/h2-4,7-12,15-20,23H,1,5-6,13-14,21-22H2,(H,29,30)
InChIKeyLHIZAZZFVWAYIU-UHFFFAOYSA-N
MW496.43 g/mol
LogP5.67
Rot. Bonds7

About 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide

3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide (PubChem CID 134977833) has the molecular formula C27H31BrNOP and a molecular weight of 496.43 g/mol. Its IUPAC name is 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide
PubChem CID134977833
Molecular FormulaC27H31BrNOP
Molecular Weight496.43 g/mol
Exact Mass495.13
IUPAC Name3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide
SMILESO=C(CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C27H31BrNOP/c28-31(24-15-7-2-8-16-24,25-17-9-3-10-18-25,26-19-11-4-12-20-26)22-21-27(30)29-23-13-5-1-6-14-23/h2-4,7-12,15-20,23H,1,5-6,13-14,21-22H2,(H,29,30)
InChIKeyLHIZAZZFVWAYIU-UHFFFAOYSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.43
LogP ≤ 55.67
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

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
(1,3-Dicyclohexylureidocarbonylmethylene)triphenylphosphorane
CID 129879064
Carbonyl-4-(di-phenylphosphino)-2-[(diphenylphosphino)-methyl]pyrrolidine
CID 129731081
Triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 74081310
(2R)-(2-trifluoroacetamidopropyl)triphenylphosphonium iodide
CID 86661754
2,2,2-trifluoro-N-[(2R)-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-yl]acetamide
CID 141617680
2,2,2-trifluoro-N-[1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-yl]acetamide
CID 141627144
N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanamide
CID 172615411
(5S)-5-(diphenylphosphanylmethyl)pyrrolidin-2-one
CID 15528775
1-(2,2-Dimethylpropanoylamino)ethyl-triphenylphosphanium
CID 46933855

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide (CID 134977833) is 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide is O=C(CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)NC1CCCCC1.
What is the InChIKey of 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide?
The InChIKey is LHIZAZZFVWAYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31BrNOP/c28-31(24-15-7-2-8-16-24,25-17-9-3-10-18-25,26-19-11-4-12-20-26)22-21-27(30)29-23-13-5-1-6-14-23/h2-4,7-12,15-20,23H,1,5-6,13-14,21-22H2,(H,29,30).
What are the key properties of 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide?
3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide has a molecular weight of 496.43 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(triphenyl)-λ5-phosphanyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 134977833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).