3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide

C17H13FN2O3 — CID 73035687

IUPAC3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(C=CC(=O)c2cccnc2)c(F)c1)NO
InChIInChI=1S/C17H13FN2O3/c18-15-10-12(4-8-17(22)20-23)3-5-13(15)6-7-16(21)14-2-1-9-19-11-14/h1-11,23H,(H,20,22)
InChIKeyIFGLDQIDVPECRD-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.64
Rot. Bonds5

About 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide

3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 73035687) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID73035687
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(C=CC(=O)c2cccnc2)c(F)c1)NO
InChIInChI=1S/C17H13FN2O3/c18-15-10-12(4-8-17(22)20-23)3-5-13(15)6-7-16(21)14-2-1-9-19-11-14/h1-11,23H,(H,20,22)
InChIKeyIFGLDQIDVPECRD-UHFFFAOYSA-N
XLogP2.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
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

3-[4-[3-(3-chlorophenyl)-3-oxoprop-1-enyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
CID 73031043
(E)-3-(3-bromo-4-fluorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7514892
(E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide;hydrochloride
CID 166771212
N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide
CID 622324
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11659345
(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 24958452
(E)-3-[3-chloro-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11508464
3-(3-chlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 4079633
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
CID 23557297
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide (CID 73035687) is 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1ccc(C=CC(=O)c2cccnc2)c(F)c1)NO.
What is the InChIKey of 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is IFGLDQIDVPECRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-15-10-12(4-8-17(22)20-23)3-5-13(15)6-7-16(21)14-2-1-9-19-11-14/h1-11,23H,(H,20,22).
What are the key properties of 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide?
3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 312.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 73035687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).