2-(2,6-dichlorophenyl)-N-methylacetamide

C9H9Cl2NO — CID 7535017

IUPAC2-(2,6-dichlorophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-12-9(13)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyFCYHXJCZFCNCRE-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.28
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-N-methylacetamide

2-(2,6-dichlorophenyl)-N-methylacetamide (PubChem CID 7535017) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-methylacetamide
PubChem CID7535017
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name2-(2,6-dichlorophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-12-9(13)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyFCYHXJCZFCNCRE-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-methylacetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-methylacetamide (CID 7535017) is 2-(2,6-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-methylacetamide is CNC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-methylacetamide?
The InChIKey is FCYHXJCZFCNCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-12-9(13)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2,6-dichlorophenyl)-N-methylacetamide?
2-(2,6-dichlorophenyl)-N-methylacetamide has a molecular weight of 218.08 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-methylacetamide is sourced from PubChem (CID 7535017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).