(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide

C12H14FNO4 — CID 23836262

IUPAC(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide
SMILESC[C@H](/C=C/C(=O)NO)[C@@H](O)c1ccc(O)c(F)c1
InChIInChI=1S/C12H14FNO4/c1-7(2-5-11(16)14-18)12(17)8-3-4-10(15)9(13)6-8/h2-7,12,15,17-18H,1H3,(H,14,16)/b5-2+/t7-,12-/m1/s1
InChIKeySYHIPRMGFVHNGH-VFEKNHMASA-N
MW255.25 g/mol
LogP1.26
Rot. Bonds4

About (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide

(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide (PubChem CID 23836262) has the molecular formula C12H14FNO4 and a molecular weight of 255.25 g/mol. Its IUPAC name is (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide
PubChem CID23836262
Molecular FormulaC12H14FNO4
Molecular Weight255.25 g/mol
Exact Mass255.09
IUPAC Name(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide
SMILESC[C@H](/C=C/C(=O)NO)[C@@H](O)c1ccc(O)c(F)c1
InChIInChI=1S/C12H14FNO4/c1-7(2-5-11(16)14-18)12(17)8-3-4-10(15)9(13)6-8/h2-7,12,15,17-18H,1H3,(H,14,16)/b5-2+/t7-,12-/m1/s1
InChIKeySYHIPRMGFVHNGH-VFEKNHMASA-N
XLogP1.26
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.26
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'}

Analyze (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide?
The IUPAC name of (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide (CID 23836262) is (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide.
What is the SMILES notation for (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide?
The canonical SMILES for (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide is C[C@H](/C=C/C(=O)NO)[C@@H](O)c1ccc(O)c(F)c1.
What is the InChIKey of (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide?
The InChIKey is SYHIPRMGFVHNGH-VFEKNHMASA-N. The full InChI is InChI=1S/C12H14FNO4/c1-7(2-5-11(16)14-18)12(17)8-3-4-10(15)9(13)6-8/h2-7,12,15,17-18H,1H3,(H,14,16)/b5-2+/t7-,12-/m1/s1.
What are the key properties of (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide?
(E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide has a molecular weight of 255.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-5-(3-fluoro-4-hydroxyphenyl)-N,5-dihydroxy-4-methylpent-2-enamide is sourced from PubChem (CID 23836262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).