N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide

C13H9Cl3N2O2 — CID 871057

IUPACN-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H9Cl3N2O2/c14-8-1-3-11(10(16)5-8)20-7-13(19)18-12-4-2-9(15)6-17-12/h1-6H,7H2,(H,17,18,19)
InChIKeyKCWMMCLQYIJURW-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.06
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide

N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 871057) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID871057
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H9Cl3N2O2/c14-8-1-3-11(10(16)5-8)20-7-13(19)18-12-4-2-9(15)6-17-12/h1-6H,7H2,(H,17,18,19)
InChIKeyKCWMMCLQYIJURW-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide (CID 871057) is N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is KCWMMCLQYIJURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c14-8-1-3-11(10(16)5-8)20-7-13(19)18-12-4-2-9(15)6-17-12/h1-6H,7H2,(H,17,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide?
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 331.59 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 871057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).