2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide

C10H11Cl2NO — CID 4961955

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCl
InChIInChI=1S/C10H11Cl2NO/c1-13(10(14)6-11)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyXMDHZHBNNUBOFM-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.54
Rot. Bonds3

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

2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 4961955) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
PubChem CID4961955
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCl
InChIInChI=1S/C10H11Cl2NO/c1-13(10(14)6-11)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyXMDHZHBNNUBOFM-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.54
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-[(4-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide (CID 4961955) is 2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)cc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is XMDHZHBNNUBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-13(10(14)6-11)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 232.11 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 4961955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).