2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide

C14H12Cl2N2O3 — CID 122189983

IUPAC2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCc1c[nH]c(=O)c(O)c1
InChIInChI=1S/C14H12Cl2N2O3/c15-10-2-1-9(11(16)5-10)4-13(20)17-6-8-3-12(19)14(21)18-7-8/h1-3,5,7,19H,4,6H2,(H,17,20)(H,18,21)
InChIKeyPFHHABHGGIZPKH-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.25
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide

2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 122189983) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID122189983
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCc1c[nH]c(=O)c(O)c1
InChIInChI=1S/C14H12Cl2N2O3/c15-10-2-1-9(11(16)5-10)4-13(20)17-6-8-3-12(19)14(21)18-7-8/h1-3,5,7,19H,4,6H2,(H,17,20)(H,18,21)
InChIKeyPFHHABHGGIZPKH-UHFFFAOYSA-N
XLogP2.25
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 122189983) is 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide is O=C(Cc1ccc(Cl)cc1Cl)NCc1c[nH]c(=O)c(O)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is PFHHABHGGIZPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-10-2-1-9(11(16)5-10)4-13(20)17-6-8-3-12(19)14(21)18-7-8/h1-3,5,7,19H,4,6H2,(H,17,20)(H,18,21).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide?
2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 327.17 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 122189983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).