[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium

C20H20FN2O2+ — CID 8755189

IUPAC[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@@H]([NH2+][C@@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H19FN2O2/c1-14(20(24)23-17-11-6-5-10-16(17)21)22-19(18-12-7-13-25-18)15-8-3-2-4-9-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19+/m1/s1
InChIKeyZLRBVJKWKGJGAH-KUHUBIRLSA-O
MW339.39 g/mol
LogP3.10
Rot. Bonds6

About [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8755189) has the molecular formula C20H20FN2O2+ and a molecular weight of 339.39 g/mol. Its IUPAC name is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8755189
Molecular FormulaC20H20FN2O2+
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@@H]([NH2+][C@@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H19FN2O2/c1-14(20(24)23-17-11-6-5-10-16(17)21)22-19(18-12-7-13-25-18)15-8-3-2-4-9-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19+/m1/s1
InChIKeyZLRBVJKWKGJGAH-KUHUBIRLSA-O
XLogP3.10
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium with MolForge

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Related Compounds

[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8755457
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
CID 2551581
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696221
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387
[(S)-furan-2-yl(phenyl)methyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755385
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696261
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8756577
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium (CID 8755189) is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium is C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is ZLRBVJKWKGJGAH-KUHUBIRLSA-O. The full InChI is InChI=1S/C20H19FN2O2/c1-14(20(24)23-17-11-6-5-10-16(17)21)22-19(18-12-7-13-25-18)15-8-3-2-4-9-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19+/m1/s1.
What are the key properties of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 339.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8755189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).