2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide

C11H13Cl2NO — CID 54592467

IUPAC2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCl
InChIInChI=1S/C11H13Cl2NO/c1-8(14(2)11(15)7-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeySNTJAMYDIOVCFP-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.10
Rot. Bonds3

About 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide

2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide (PubChem CID 54592467) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
PubChem CID54592467
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCl
InChIInChI=1S/C11H13Cl2NO/c1-8(14(2)11(15)7-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeySNTJAMYDIOVCFP-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide (CID 54592467) is 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(Cl)cc1)N(C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide?
The InChIKey is SNTJAMYDIOVCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-8(14(2)11(15)7-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide?
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide has a molecular weight of 246.14 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 54592467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).