N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide

C17H16Cl3NO3 — CID 7275271

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3NO3/c1-23-13-4-2-11(3-5-13)6-7-21-16(22)10-24-17-14(19)8-12(18)9-15(17)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
InChIKeyYTAWBJQBXXKZCX-UHFFFAOYSA-N
MW388.68 g/mol
LogP4.39
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 7275271) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID7275271
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3NO3/c1-23-13-4-2-11(3-5-13)6-7-21-16(22)10-24-17-14(19)8-12(18)9-15(17)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
InChIKeyYTAWBJQBXXKZCX-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 4242947
N-[2-(4-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578622
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide (CID 7275271) is N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide is COc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is YTAWBJQBXXKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO3/c1-23-13-4-2-11(3-5-13)6-7-21-16(22)10-24-17-14(19)8-12(18)9-15(17)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 388.68 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 7275271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).