N-[(2,6-dichlorophenyl)methyl]acetamide

C9H9Cl2NO — CID 602663

IUPACN-[(2,6-dichlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyMDSIORNLJCVXLC-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.63
Rot. Bonds2

About N-[(2,6-dichlorophenyl)methyl]acetamide

N-[(2,6-dichlorophenyl)methyl]acetamide (PubChem CID 602663) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]acetamide
PubChem CID602663
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC NameN-[(2,6-dichlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyMDSIORNLJCVXLC-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]acetamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]acetamide (CID 602663) is N-[(2,6-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]acetamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]acetamide is CC(=O)NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]acetamide?
The InChIKey is MDSIORNLJCVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]acetamide?
N-[(2,6-dichlorophenyl)methyl]acetamide has a molecular weight of 218.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 602663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).