2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide

C14H12Cl2N2O2 — CID 738259

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Cl)cn2)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-9-6-11(3-4-12(9)16)20-8-14(19)18-13-5-2-10(15)7-17-13/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyCMGBWQGJIWSEMM-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.71
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 738259) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID738259
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Cl)cn2)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-9-6-11(3-4-12(9)16)20-8-14(19)18-13-5-2-10(15)7-17-13/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyCMGBWQGJIWSEMM-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide (CID 738259) is 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide is Cc1cc(OCC(=O)Nc2ccc(Cl)cn2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is CMGBWQGJIWSEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-9-6-11(3-4-12(9)16)20-8-14(19)18-13-5-2-10(15)7-17-13/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 311.17 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 738259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).