2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium

C18H28FNOPY+ — CID 159170145

IUPAC2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium
SMILESCC[P+]1(CC(=O)Nc2c(C)cc(F)cc2C)CCCCCC1.[Y]
InChIInChI=1S/C18H27FNOP.Y/c1-4-22(9-7-5-6-8-10-22)13-17(21)20-18-14(2)11-16(19)12-15(18)3;/h11-12H,4-10,13H2,1-3H3;/p+1
InChIKeyPFOULWKQHOIUOH-UHFFFAOYSA-O
MW413.31 g/mol
LogP4.99
Rot. Bonds4

About 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium

2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium (PubChem CID 159170145) has the molecular formula C18H28FNOPY+ and a molecular weight of 413.31 g/mol. Its IUPAC name is 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium.

Molecular Properties

Compound Name2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium
PubChem CID159170145
Molecular FormulaC18H28FNOPY+
Molecular Weight413.31 g/mol
Exact Mass413.09
IUPAC Name2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium
SMILESCC[P+]1(CC(=O)Nc2c(C)cc(F)cc2C)CCCCCC1.[Y]
InChIInChI=1S/C18H27FNOP.Y/c1-4-22(9-7-5-6-8-10-22)13-17(21)20-18-14(2)11-16(19)12-15(18)3;/h11-12H,4-10,13H2,1-3H3;/p+1
InChIKeyPFOULWKQHOIUOH-UHFFFAOYSA-O
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 54.99
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

2-(1-ethylphosphepan-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 157122609
N-(4-fluoro-2,6-dimethylphenyl)propanamide;yttrium
CID 159722509
CID 161387675
CID 161387675
N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
CID 156737700
N-(4-cyano-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
CID 156737733
1-(1-ethylpiperidin-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)cyclobutane-1-carboxamide;yttrium
CID 158491932
ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium
CID 159651489
ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]-methanidyl-methylphosphanium;yttrium
CID 161293843
diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium
CID 158204079
carbanide;N-(4-fluoro-2,6-dimethylphenyl)pentanamide;platinum
CID 156737620
2-(1-ethylazepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)butanamide;toluene;yttrium
CID 161469239
2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)butanamide;toluene;yttrium
CID 158460729

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium?
The IUPAC name of 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium (CID 159170145) is 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium.
What is the SMILES notation for 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium?
The canonical SMILES for 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium is CC[P+]1(CC(=O)Nc2c(C)cc(F)cc2C)CCCCCC1.[Y].
What is the InChIKey of 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium?
The InChIKey is PFOULWKQHOIUOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27FNOP.Y/c1-4-22(9-7-5-6-8-10-22)13-17(21)20-18-14(2)11-16(19)12-15(18)3;/h11-12H,4-10,13H2,1-3H3;/p+1.
What are the key properties of 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium?
2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium has a molecular weight of 413.31 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium is sourced from PubChem (CID 159170145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).