benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium

C17H20FN2O+ — CID 9274622

IUPACbenzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)Nc1cccc(F)c1)[NH+](C)Cc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-13(20(2)12-14-7-4-3-5-8-14)17(21)19-16-10-6-9-15(18)11-16/h3-11,13H,12H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1
InChIKeyPHNPZDGMZWQZCT-CYBMUJFWSA-O
MW287.36 g/mol
LogP1.87
Rot. Bonds5

About benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium

benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9274622) has the molecular formula C17H20FN2O+ and a molecular weight of 287.36 g/mol. Its IUPAC name is benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9274622
Molecular FormulaC17H20FN2O+
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namebenzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)Nc1cccc(F)c1)[NH+](C)Cc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-13(20(2)12-14-7-4-3-5-8-14)17(21)19-16-10-6-9-15(18)11-16/h3-11,13H,12H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1
InChIKeyPHNPZDGMZWQZCT-CYBMUJFWSA-O
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274685
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668
(3-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 8516271
benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274743
benzyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium
CID 9274719
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9199201
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8516079
benzyl-[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274779
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251362

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium (CID 9274622) is benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium is C[C@H](C(=O)Nc1cccc(F)c1)[NH+](C)Cc1ccccc1.
What is the InChIKey of benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is PHNPZDGMZWQZCT-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H19FN2O/c1-13(20(2)12-14-7-4-3-5-8-14)17(21)19-16-10-6-9-15(18)11-16/h3-11,13H,12H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1.
What are the key properties of benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 287.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9274622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).