(E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide

C11H12FNO4 — CID 23920385

IUPAC(E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide
SMILESO=C(/C=C/C[C@H](O)c1ccc(O)c(F)c1)NO
InChIInChI=1S/C11H12FNO4/c12-8-6-7(4-5-10(8)15)9(14)2-1-3-11(16)13-17/h1,3-6,9,14-15,17H,2H2,(H,13,16)/b3-1+/t9-/m0/s1
InChIKeyFYWLXOXYNOGAAT-ARLXTTGXSA-N
MW241.22 g/mol
LogP1.02
Rot. Bonds4

About (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide

(E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide (PubChem CID 23920385) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide.

Molecular Properties

Compound Name(E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide
PubChem CID23920385
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name(E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide
SMILESO=C(/C=C/C[C@H](O)c1ccc(O)c(F)c1)NO
InChIInChI=1S/C11H12FNO4/c12-8-6-7(4-5-10(8)15)9(14)2-1-3-11(16)13-17/h1,3-6,9,14-15,17H,2H2,(H,13,16)/b3-1+/t9-/m0/s1
InChIKeyFYWLXOXYNOGAAT-ARLXTTGXSA-N
XLogP1.02
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E,6R,7S)-7-(3-fluoro-4-hydroxyphenyl)-N,7-dihydroxy-6-methylhept-2-enamide
CID 23836257
(E,6S,7R)-7-(3-fluoro-4-hydroxyphenyl)-N,7-dihydroxy-6-methylhept-2-enamide
CID 23807581
[(E,1R)-1-(3-fluoro-4-hydroxyphenyl)-7-(hydroxyamino)-7-oxohept-5-enyl] N-phenylcarbamate
CID 23892676
[(E,1R)-1-(3-fluoro-4-hydroxyphenyl)-7-(hydroxyamino)-2,2-dimethyl-7-oxohept-5-enyl] N-(4-bromophenyl)carbamate
CID 23892688
(E,7S)-7-(5-bromo-2-hydroxyphenyl)-N,7-dihydroxyhept-2-enamide
CID 23864522
[(E,1R,2R)-2-ethoxy-1-(3-fluoro-4-hydroxyphenyl)-7-(hydroxyamino)-7-oxohept-5-enyl] N-phenylcarbamate
CID 23807938
(E,7R)-N,7-dihydroxy-7-(4-hydroxyphenyl)hept-2-enamide
CID 23864545
[(E,1R,2R)-1-(3-fluoro-4-hydroxyphenyl)-7-(hydroxyamino)-2-methoxy-7-oxohept-5-enyl] N-(4-acetylphenyl)carbamate
CID 23920734
[(E,1S)-1-(3-fluoro-4-hydroxyphenyl)-7-(hydroxyamino)-7-oxohept-5-enyl] N-(4-cyanophenyl)carbamate
CID 23836572
[(E,1R,2S)-1-(3-fluoro-4-hydroxyphenyl)-7-(hydroxyamino)-2-methyl-7-oxohept-5-enyl] N-naphthalen-1-ylcarbamate
CID 23948583
(E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide
CID 23948201
[(E,1S,2S)-1-(3-fluoro-4-hydroxyphenyl)-5-(hydroxyamino)-2-methyl-5-oxopent-3-enyl] N-phenylcarbamate
CID 23864857

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide?
The IUPAC name of (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide (CID 23920385) is (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide.
What is the SMILES notation for (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide?
The canonical SMILES for (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide is O=C(/C=C/C[C@H](O)c1ccc(O)c(F)c1)NO.
What is the InChIKey of (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide?
The InChIKey is FYWLXOXYNOGAAT-ARLXTTGXSA-N. The full InChI is InChI=1S/C11H12FNO4/c12-8-6-7(4-5-10(8)15)9(14)2-1-3-11(16)13-17/h1,3-6,9,14-15,17H,2H2,(H,13,16)/b3-1+/t9-/m0/s1.
What are the key properties of (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide?
(E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide has a molecular weight of 241.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxypent-2-enamide is sourced from PubChem (CID 23920385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).