(E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide

C22H17FN2O4 — CID 158940868

IUPAC(E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cc(CC(=O)c2cccnc2)ccc1Oc1cccc(F)c1)NO
InChIInChI=1S/C22H17FN2O4/c23-18-4-1-5-19(13-18)29-21-8-6-15(11-16(21)7-9-22(27)25-28)12-20(26)17-3-2-10-24-14-17/h1-11,13-14,28H,12H2,(H,25,27)/b9-7+
InChIKeyJKFOEKKCSPONIA-VQHVLOKHSA-N
MW392.39 g/mol
LogP3.96
Rot. Bonds7

About (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 158940868) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID158940868
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name(E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cc(CC(=O)c2cccnc2)ccc1Oc1cccc(F)c1)NO
InChIInChI=1S/C22H17FN2O4/c23-18-4-1-5-19(13-18)29-21-8-6-15(11-16(21)7-9-22(27)25-28)12-20(26)17-3-2-10-24-14-17/h1-11,13-14,28H,12H2,(H,25,27)/b9-7+
InChIKeyJKFOEKKCSPONIA-VQHVLOKHSA-N
XLogP3.96
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
CID 159803289
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
3-[2-(4-fluorophenoxy)-5-(pyridin-3-ylmethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 123669746
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
(E)-3-[2-(4-fluorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621223
(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-3-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621224
(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide
CID 47740224
3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73035687
N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
CID 78137722
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
N-[2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]ethyl]pyridine-3-carboxamide
CID 39580063
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide (CID 158940868) is (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cc(CC(=O)c2cccnc2)ccc1Oc1cccc(F)c1)NO.
What is the InChIKey of (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is JKFOEKKCSPONIA-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H17FN2O4/c23-18-4-1-5-19(13-18)29-21-8-6-15(11-16(21)7-9-22(27)25-28)12-20(26)17-3-2-10-24-14-17/h1-11,13-14,28H,12H2,(H,25,27)/b9-7+.
What are the key properties of (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 392.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-fluorophenoxy)-5-(2-oxo-2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 158940868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).