2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide

C12H14Cl2FNO2 — CID 39403186

IUPAC2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1c(F)cccc1Cl)C(=O)CCl
InChIInChI=1S/C12H14Cl2FNO2/c1-18-6-5-16(12(17)7-13)8-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3
InChIKeyOEUKPFOHNWGUCZ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.69
Rot. Bonds6

About 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide (PubChem CID 39403186) has the molecular formula C12H14Cl2FNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
PubChem CID39403186
Molecular FormulaC12H14Cl2FNO2
Molecular Weight294.15 g/mol
Exact Mass293.04
IUPAC Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1c(F)cccc1Cl)C(=O)CCl
InChIInChI=1S/C12H14Cl2FNO2/c1-18-6-5-16(12(17)7-13)8-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3
InChIKeyOEUKPFOHNWGUCZ-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide (CID 39403186) is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide is COCCN(Cc1c(F)cccc1Cl)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is OEUKPFOHNWGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO2/c1-18-6-5-16(12(17)7-13)8-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide?
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 294.15 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 39403186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).