N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide

C16H16Cl2N2O2 — CID 56787826

IUPACN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCC(O)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C16H16Cl2N2O2/c1-10-2-3-11(8-19-10)6-16(22)20-9-15(21)13-5-4-12(17)7-14(13)18/h2-5,7-8,15,21H,6,9H2,1H3,(H,20,22)
InChIKeyXNRBUNQAZYRQDD-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 56787826) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID56787826
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCC(O)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C16H16Cl2N2O2/c1-10-2-3-11(8-19-10)6-16(22)20-9-15(21)13-5-4-12(17)7-14(13)18/h2-5,7-8,15,21H,6,9H2,1H3,(H,20,22)
InChIKeyXNRBUNQAZYRQDD-UHFFFAOYSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide (CID 56787826) is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)NCC(O)c2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is XNRBUNQAZYRQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10-2-3-11(8-19-10)6-16(22)20-9-15(21)13-5-4-12(17)7-14(13)18/h2-5,7-8,15,21H,6,9H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 339.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 56787826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).