3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide

C16H19ClN2O3 — CID 52950173

IUPAC3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCCN(CCc2ccc(Cl)cc2)C1=O)NO
InChIInChI=1S/C16H19ClN2O3/c17-14-6-3-12(4-7-14)9-11-19-10-1-2-13(16(19)21)5-8-15(20)18-22/h2-4,6-7,22H,1,5,8-11H2,(H,18,20)
InChIKeyKRZNWKYLYVWYDQ-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.33
Rot. Bonds6

About 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide

3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide (PubChem CID 52950173) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
PubChem CID52950173
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCCN(CCc2ccc(Cl)cc2)C1=O)NO
InChIInChI=1S/C16H19ClN2O3/c17-14-6-3-12(4-7-14)9-11-19-10-1-2-13(16(19)21)5-8-15(20)18-22/h2-4,6-7,22H,1,5,8-11H2,(H,18,20)
InChIKeyKRZNWKYLYVWYDQ-UHFFFAOYSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide (CID 52950173) is 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide is O=C(CCC1=CCCN(CCc2ccc(Cl)cc2)C1=O)NO.
What is the InChIKey of 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The InChIKey is KRZNWKYLYVWYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-14-6-3-12(4-7-14)9-11-19-10-1-2-13(16(19)21)5-8-15(20)18-22/h2-4,6-7,22H,1,5,8-11H2,(H,18,20).
What are the key properties of 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide has a molecular weight of 322.79 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-chlorophenyl)ethyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide is sourced from PubChem (CID 52950173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).