[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

C25H22FN2O2+ — CID 8755427

IUPAC[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(Nc1ccc(F)cc1)[C@H]([NH2+][C@H](c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C25H21FN2O2/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/p+1/t23-,24-/m1/s1
InChIKeyZDXREOLBNTVQSS-DNQXCXABSA-O
MW401.46 g/mol
LogP4.45
Rot. Bonds7

About [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8755427) has the molecular formula C25H22FN2O2+ and a molecular weight of 401.46 g/mol. Its IUPAC name is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8755427
Molecular FormulaC25H22FN2O2+
Molecular Weight401.46 g/mol
Exact Mass401.17
IUPAC Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(Nc1ccc(F)cc1)[C@H]([NH2+][C@H](c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C25H21FN2O2/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/p+1/t23-,24-/m1/s1
InChIKeyZDXREOLBNTVQSS-DNQXCXABSA-O
XLogP4.45
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium with MolForge

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Related Compounds

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7986750
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8756137
[(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
(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium
CID 9307429
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755189
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8755457
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696261
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium (CID 8755427) is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is O=C(Nc1ccc(F)cc1)[C@H]([NH2+][C@H](c1ccccc1)c1ccco1)c1ccccc1.
What is the InChIKey of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is ZDXREOLBNTVQSS-DNQXCXABSA-O. The full InChI is InChI=1S/C25H21FN2O2/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/p+1/t23-,24-/m1/s1.
What are the key properties of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 401.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8755427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).