2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide

C11H10Cl2FNO3 — CID 22359307

IUPAC2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C(=O)CCl)c(F)cc1Cl
InChIInChI=1S/C11H10Cl2FNO3/c1-15-11(17)5-18-10-2-6(9(16)4-12)8(14)3-7(10)13/h2-3H,4-5H2,1H3,(H,15,17)
InChIKeyCJUHPKNHMQXPFJ-UHFFFAOYSA-N
MW294.11 g/mol
LogP2.03
Rot. Bonds5

About 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide

2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide (PubChem CID 22359307) has the molecular formula C11H10Cl2FNO3 and a molecular weight of 294.11 g/mol. Its IUPAC name is 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide
PubChem CID22359307
Molecular FormulaC11H10Cl2FNO3
Molecular Weight294.11 g/mol
Exact Mass293.00
IUPAC Name2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C(=O)CCl)c(F)cc1Cl
InChIInChI=1S/C11H10Cl2FNO3/c1-15-11(17)5-18-10-2-6(9(16)4-12)8(14)3-7(10)13/h2-3H,4-5H2,1H3,(H,15,17)
InChIKeyCJUHPKNHMQXPFJ-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorophenyl]-3-oxopropanoate
CID 22359301
2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid
CID 139634524
3-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
2-[2-chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-N-methylacetamide
CID 101148256
[4-[5-(2-amino-2-oxoethoxy)-4-chloro-2-fluorophenyl]-2-methyl-4-oxobutan-2-yl] acetate
CID 174310963
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide (CID 22359307) is 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide is CNC(=O)COc1cc(C(=O)CCl)c(F)cc1Cl.
What is the InChIKey of 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide?
The InChIKey is CJUHPKNHMQXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO3/c1-15-11(17)5-18-10-2-6(9(16)4-12)8(14)3-7(10)13/h2-3H,4-5H2,1H3,(H,15,17).
What are the key properties of 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide?
2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide has a molecular weight of 294.11 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(2-chloroacetyl)-4-fluorophenoxy]-N-methylacetamide is sourced from PubChem (CID 22359307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).