N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide

C10H11Cl2NO — CID 18923261

IUPACN-(2,4-dichloro-3-methylphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C10H11Cl2NO/c1-6-8(11)4-5-9(10(6)12)13(3)7(2)14/h4-5H,1-3H3
InChIKeySXJIFLJFNSAIAH-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.28
Rot. Bonds1

About N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide

N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide (PubChem CID 18923261) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,4-dichloro-3-methylphenyl)-N-methylacetamide
PubChem CID18923261
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC NameN-(2,4-dichloro-3-methylphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C10H11Cl2NO/c1-6-8(11)4-5-9(10(6)12)13(3)7(2)14/h4-5H,1-3H3
InChIKeySXJIFLJFNSAIAH-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide?
The IUPAC name of N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide (CID 18923261) is N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide is CC(=O)N(C)c1ccc(Cl)c(C)c1Cl.
What is the InChIKey of N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide?
The InChIKey is SXJIFLJFNSAIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6-8(11)4-5-9(10(6)12)13(3)7(2)14/h4-5H,1-3H3.
What are the key properties of N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide?
N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide has a molecular weight of 232.11 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-3-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 18923261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).