N-(2,4-dichlorophenyl)-N-methylacetamide

C9H9Cl2NO — CID 2735254

IUPACN-(2,4-dichlorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3
InChIKeyNVSSRRQIUAFBIU-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.98
Rot. Bonds1

About N-(2,4-dichlorophenyl)-N-methylacetamide

N-(2,4-dichlorophenyl)-N-methylacetamide (PubChem CID 2735254) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N-methylacetamide
PubChem CID2735254
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC NameN-(2,4-dichlorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3
InChIKeyNVSSRRQIUAFBIU-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N-methylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N-methylacetamide (CID 2735254) is N-(2,4-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N-methylacetamide is CC(=O)N(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N-methylacetamide?
The InChIKey is NVSSRRQIUAFBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3.
What are the key properties of N-(2,4-dichlorophenyl)-N-methylacetamide?
N-(2,4-dichlorophenyl)-N-methylacetamide has a molecular weight of 218.08 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N-methylacetamide is sourced from PubChem (CID 2735254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).