[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium

C19H24FN2O+ — CID 8517771

IUPAC[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESCCc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O/c1-4-15-9-11-17(12-10-15)21-19(23)14(2)22(3)13-16-7-5-6-8-18(16)20/h5-12,14H,4,13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1
InChIKeyAOLULWMVLWRHGM-CQSZACIVSA-O
MW315.41 g/mol
LogP2.43
Rot. Bonds6

About [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium (PubChem CID 8517771) has the molecular formula C19H24FN2O+ and a molecular weight of 315.41 g/mol. Its IUPAC name is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
PubChem CID8517771
Molecular FormulaC19H24FN2O+
Molecular Weight315.41 g/mol
Exact Mass315.19
IUPAC Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESCCc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O/c1-4-15-9-11-17(12-10-15)21-19(23)14(2)22(3)13-16-7-5-6-8-18(16)20/h5-12,14H,4,13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1
InChIKeyAOLULWMVLWRHGM-CQSZACIVSA-O
XLogP2.43
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium
CID 9356868
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517814
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 9034558
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium
CID 8517809
(4,5-dimethoxy-2-methylphenyl)methyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8773713
benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274685
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-bromophenyl)methyl]-methylazanium
CID 8515511
(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8515487
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508540
benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274622
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium (CID 8517771) is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium is CCc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2ccccc2F)cc1.
What is the InChIKey of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The InChIKey is AOLULWMVLWRHGM-CQSZACIVSA-O. The full InChI is InChI=1S/C19H23FN2O/c1-4-15-9-11-17(12-10-15)21-19(23)14(2)22(3)13-16-7-5-6-8-18(16)20/h5-12,14H,4,13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium has a molecular weight of 315.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8517771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).