2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide

C13H16ClNO3 — CID 60758125

IUPAC2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C13H16ClNO3/c1-4-15(3)13(17)8-18-12-6-5-10(14)7-11(12)9(2)16/h5-7H,4,8H2,1-3H3
InChIKeyVUIVAYNKIIQIIP-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.40
Rot. Bonds5

About 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide

2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide (PubChem CID 60758125) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
PubChem CID60758125
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C13H16ClNO3/c1-4-15(3)13(17)8-18-12-6-5-10(14)7-11(12)9(2)16/h5-7H,4,8H2,1-3H3
InChIKeyVUIVAYNKIIQIIP-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083
2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
CID 43307243
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanone
CID 66046437
1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
CID 62072537
1-[5-chloro-2-[2-(chloromethyl)prop-2-enoxy]phenyl]ethanone
CID 103066099
propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
CID 55021490
2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide
CID 112689404
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
3-(2-acetyl-4-chlorophenoxy)-2,2-dimethylpropanoic acid
CID 79623384
1-[5-chloro-2-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115646908
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide (CID 60758125) is 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1ccc(Cl)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide?
The InChIKey is VUIVAYNKIIQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-4-15(3)13(17)8-18-12-6-5-10(14)7-11(12)9(2)16/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide?
2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide has a molecular weight of 269.73 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 60758125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).