2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide

C11H12Cl2FNO — CID 115162206

IUPAC2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccc(F)c(Cl)c1)C(=O)CCl
InChIInChI=1S/C11H12Cl2FNO/c1-15(11(16)7-12)5-4-8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyAXETUGOKZQOTST-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide

2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 115162206) has the molecular formula C11H12Cl2FNO and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID115162206
Molecular FormulaC11H12Cl2FNO
Molecular Weight264.13 g/mol
Exact Mass263.03
IUPAC Name2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccc(F)c(Cl)c1)C(=O)CCl
InChIInChI=1S/C11H12Cl2FNO/c1-15(11(16)7-12)5-4-8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyAXETUGOKZQOTST-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.72
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

N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 115162212
N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
CID 115176980
N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139194
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166420
2-(3-chloro-4-fluorophenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261315
1-[2-(3-chloro-4-fluorophenyl)ethylamino]propan-2-one
CID 115235038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide (CID 115162206) is 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide is CN(CCc1ccc(F)c(Cl)c1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is AXETUGOKZQOTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO/c1-15(11(16)7-12)5-4-8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide?
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 264.13 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115162206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).