(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one

C17H14FNO3 — CID 135064344

IUPAC(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one
SMILESO=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccc(F)cc2)O1
InChIInChI=1S/C17H14FNO3/c18-12-7-5-11(6-8-12)17(15-9-10-16(21)22-15)19-13-3-1-2-4-14(13)20/h1-10,15,17,19-20H/t15-,17+/m1/s1
InChIKeyMXZFJQXDVKKPSL-WBVHZDCISA-N
MW299.30 g/mol
LogP3.17
Rot. Bonds4

About (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one

(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one (PubChem CID 135064344) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one
PubChem CID135064344
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one
SMILESO=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccc(F)cc2)O1
InChIInChI=1S/C17H14FNO3/c18-12-7-5-11(6-8-12)17(15-9-10-16(21)22-15)19-13-3-1-2-4-14(13)20/h1-10,15,17,19-20H/t15-,17+/m1/s1
InChIKeyMXZFJQXDVKKPSL-WBVHZDCISA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one
CID 100993377
(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one
CID 50917706
5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one
CID 164684151
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-nitroaniline
CID 43785510
2-(4-fluoroanilino)phenol
CID 82537401
(2S)-2-[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-2H-furan-5-one
CID 54671653
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-[[1,2-bis(4-fluorophenyl)-2-(2-sulfanylanilino)ethyl]amino]benzenethiol
CID 20762520
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
(2R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxyethyl]-2H-furan-5-one
CID 102201918
[(1S,2R,3R)-2,3-dihydroxy-3-[(2R)-5-oxo-2H-furan-2-yl]-1-phenylpropyl] (E)-3-phenylprop-2-enoate
CID 102191998
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 60555107

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one (CID 135064344) is (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one is O=C1C=C[C@H]([C@@H](Nc2ccccc2O)c2ccc(F)cc2)O1.
What is the InChIKey of (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one?
The InChIKey is MXZFJQXDVKKPSL-WBVHZDCISA-N. The full InChI is InChI=1S/C17H14FNO3/c18-12-7-5-11(6-8-12)17(15-9-10-16(21)22-15)19-13-3-1-2-4-14(13)20/h1-10,15,17,19-20H/t15-,17+/m1/s1.
What are the key properties of (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one?
(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one has a molecular weight of 299.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one is sourced from PubChem (CID 135064344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).