[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium

C17H19F2N2O+ — CID 8517814

IUPAC[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESC[C@@H](C(=O)Nc1ccccc1F)[NH+](C)Cc1ccccc1F
InChIInChI=1S/C17H18F2N2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m0/s1
InChIKeyYSFSEIPQZACWNA-LBPRGKRZSA-O
MW305.35 g/mol
LogP2.01
Rot. Bonds5

About [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium (PubChem CID 8517814) has the molecular formula C17H19F2N2O+ and a molecular weight of 305.35 g/mol. Its IUPAC name is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
PubChem CID8517814
Molecular FormulaC17H19F2N2O+
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESC[C@@H](C(=O)Nc1ccccc1F)[NH+](C)Cc1ccccc1F
InChIInChI=1S/C17H18F2N2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m0/s1
InChIKeyYSFSEIPQZACWNA-LBPRGKRZSA-O
XLogP2.01
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 2443661
(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8515487
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 9034558
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
(4-tert-butylphenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8516007
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517771
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium
CID 9356868
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium (CID 8517814) is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium is C[C@@H](C(=O)Nc1ccccc1F)[NH+](C)Cc1ccccc1F.
What is the InChIKey of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The InChIKey is YSFSEIPQZACWNA-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H18F2N2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m0/s1.
What are the key properties of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium has a molecular weight of 305.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8517814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).