N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide

C27H26F2NO2P — CID 172615411

IUPACN-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C27H26F2NO2P/c28-27(29)18-16-21(17-19-27)30-26(32)25(31)20-33(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21H,16-19H2,(H,30,32)
InChIKeyVVFXTXYFSFABAP-UHFFFAOYSA-N
MW465.48 g/mol
LogP4.05
Rot. Bonds6

About N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide

N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide (PubChem CID 172615411) has the molecular formula C27H26F2NO2P and a molecular weight of 465.48 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide
PubChem CID172615411
Molecular FormulaC27H26F2NO2P
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC NameN-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C27H26F2NO2P/c28-27(29)18-16-21(17-19-27)30-26(32)25(31)20-33(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21H,16-19H2,(H,30,32)
InChIKeyVVFXTXYFSFABAP-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide 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-[(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
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
3-[bromo(triphenyl)-lambda5-phosphanyl]-N-cyclohexylpropanamide
CID 134977833
[3-(Cyclohexylamino)-3-oxopropyl]-triphenylphosphanium bromide
CID 176444741
N-butyl-4,4,5,5,5-pentafluoro-3-oxo-2-(triphenyl-lambda5-phosphanylidene)pentanamide
CID 2752546
N-butyl-4,4,4-trifluoro-3-oxo-2-(triphenyl-lambda5-phosphanylidene)butanamide
CID 2752547
triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 23657252
triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium
CID 23657253

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide (CID 172615411) is N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide is O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide?
The InChIKey is VVFXTXYFSFABAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2NO2P/c28-27(29)18-16-21(17-19-27)30-26(32)25(31)20-33(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21H,16-19H2,(H,30,32).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide?
N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide has a molecular weight of 465.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)propanamide is sourced from PubChem (CID 172615411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).