2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide

C10H11Cl2NO — CID 82082325

IUPAC2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)CCl
InChIInChI=1S/C10H11Cl2NO/c1-7-3-4-8(12)5-9(7)13(2)10(14)6-11/h3-5H,6H2,1-2H3
InChIKeyHEIWHFYFYVSPCV-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide

2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide (PubChem CID 82082325) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
PubChem CID82082325
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)CCl
InChIInChI=1S/C10H11Cl2NO/c1-7-3-4-8(12)5-9(7)13(2)10(14)6-11/h3-5H,6H2,1-2H3
InChIKeyHEIWHFYFYVSPCV-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
5-chloro-N,2-dimethyl-N-prop-1-en-2-ylaniline
CID 155402625
N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide
CID 167269517
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
5-chloro-3-[2-(5-chloro-N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431028
N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 107465671
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide
CID 82080926
N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
CID 115162393
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
(E)-N-(5-chloro-2-ethylphenyl)-N-methylpent-3-enamide
CID 142238055
1-(5-chloro-2-methylphenyl)-3-ethyl-1-hydroxyurea
CID 88560810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide (CID 82082325) is 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide is Cc1ccc(Cl)cc1N(C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide?
The InChIKey is HEIWHFYFYVSPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7-3-4-8(12)5-9(7)13(2)10(14)6-11/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide?
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide has a molecular weight of 232.11 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 82082325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).