[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium

C17H20FN2O+ — CID 8937649

IUPAC[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](NC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-20(2)12-16(13-8-4-3-5-9-13)19-17(21)14-10-6-7-11-15(14)18/h3-11,16H,12H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1
InChIKeyBQQGLCVBDXELSN-INIZCTEOSA-O
MW287.36 g/mol
LogP1.44
Rot. Bonds5

About [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium

[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8937649) has the molecular formula C17H20FN2O+ and a molecular weight of 287.36 g/mol. Its IUPAC name is [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium
PubChem CID8937649
Molecular FormulaC17H20FN2O+
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](NC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-20(2)12-16(13-8-4-3-5-9-13)19-17(21)14-10-6-7-11-15(14)18/h3-11,16H,12H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1
InChIKeyBQQGLCVBDXELSN-INIZCTEOSA-O
XLogP1.44
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
dimethyl-[(2S)-2-[(4-methylsulfanylbenzoyl)amino]-2-phenylethyl]azanium
CID 8937909
N-(1,1-diphenylpropan-2-yl)-2-fluorobenzamide
CID 46432015
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
dimethyl-[(2S)-2-[(4-nitrobenzoyl)amino]-2-phenylethyl]azanium
CID 8936075
[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937161
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
[(2S)-2-[(3-cyanobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937133

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium (CID 8937649) is [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium is C[NH+](C)C[C@H](NC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is BQQGLCVBDXELSN-INIZCTEOSA-O. The full InChI is InChI=1S/C17H19FN2O/c1-20(2)12-16(13-8-4-3-5-9-13)19-17(21)14-10-6-7-11-15(14)18/h3-11,16H,12H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1.
What are the key properties of [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium?
[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 287.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8937649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).