(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide

C16H14Cl2N2O3 — CID 89001819

IUPAC(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccn(CCc2ccc(Cl)c(Cl)c2)c1=O)NO
InChIInChI=1S/C16H14Cl2N2O3/c17-13-5-3-11(10-14(13)18)7-9-20-8-1-2-12(16(20)22)4-6-15(21)19-23/h1-6,8,10,23H,7,9H2,(H,19,21)/b6-4+
InChIKeyLBZIRNYENAKPAL-GQCTYLIASA-N
MW353.21 g/mol
LogP2.92
Rot. Bonds5

About (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide

(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 89001819) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID89001819
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccn(CCc2ccc(Cl)c(Cl)c2)c1=O)NO
InChIInChI=1S/C16H14Cl2N2O3/c17-13-5-3-11(10-14(13)18)7-9-20-8-1-2-12(16(20)22)4-6-15(21)19-23/h1-6,8,10,23H,7,9H2,(H,19,21)/b6-4+
InChIKeyLBZIRNYENAKPAL-GQCTYLIASA-N
XLogP2.92
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 89001819) is (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cccn(CCc2ccc(Cl)c(Cl)c2)c1=O)NO.
What is the InChIKey of (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is LBZIRNYENAKPAL-GQCTYLIASA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-13-5-3-11(10-14(13)18)7-9-20-8-1-2-12(16(20)22)4-6-15(21)19-23/h1-6,8,10,23H,7,9H2,(H,19,21)/b6-4+.
What are the key properties of (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 353.21 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 89001819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).