2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

C18H17Cl2NO3 — CID 16546897

IUPAC2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-11(16-8-5-14(19)9-17(16)20)21-18(23)10-24-15-6-3-13(4-7-15)12(2)22/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyZHXXAICXRPCORH-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 16546897) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID16546897
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-11(16-8-5-14(19)9-17(16)20)21-18(23)10-24-15-6-3-13(4-7-15)12(2)22/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyZHXXAICXRPCORH-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965600
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2506559
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide
CID 86954296
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
2-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 4884296
2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26117136
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51318364

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (CID 16546897) is 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is CC(=O)c1ccc(OCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is ZHXXAICXRPCORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-11(16-8-5-14(19)9-17(16)20)21-18(23)10-24-15-6-3-13(4-7-15)12(2)22/h3-9,11H,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 366.24 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 16546897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).