2-chloro-N-(4-chlorophenyl)-N-methylacetamide

C9H9Cl2NO — CID 12603569

IUPAC2-chloro-N-(4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)CCl)c1ccc(Cl)cc1
InChIInChI=1S/C9H9Cl2NO/c1-12(9(13)6-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyNARAHTYZBRUPHQ-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-N-(4-chlorophenyl)-N-methylacetamide

2-chloro-N-(4-chlorophenyl)-N-methylacetamide (PubChem CID 12603569) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-N-methylacetamide
PubChem CID12603569
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name2-chloro-N-(4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)CCl)c1ccc(Cl)cc1
InChIInChI=1S/C9H9Cl2NO/c1-12(9(13)6-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyNARAHTYZBRUPHQ-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
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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Related Compounds

2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
N-(4-chlorophenyl)-N-methyl-3-oxopentanamide
CID 59675998
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348
4-(4-chloro-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165254
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
CID 4255555
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid
CID 70531059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-methylacetamide (CID 12603569) is 2-chloro-N-(4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-N-methylacetamide is CN(C(=O)CCl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-N-methylacetamide?
The InChIKey is NARAHTYZBRUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-12(9(13)6-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-N-methylacetamide?
2-chloro-N-(4-chlorophenyl)-N-methylacetamide has a molecular weight of 218.08 g/mol, XLogP of 2.54, 2 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)-N-methylacetamide is sourced from PubChem (CID 12603569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).