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

C10H11Cl2NO — CID 118987240

IUPACN-[(2,6-dichlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3
InChIKeyUENKEFYXNFQIIC-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.97
Rot. Bonds2

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

N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 118987240) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID118987240
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3
InChIKeyUENKEFYXNFQIIC-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide (CID 118987240) is N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is UENKEFYXNFQIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-9(11)4-3-5-10(8)12/h3-5H,6H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide?
N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 232.11 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 118987240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).