N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide

C16H13Cl2NO3 — CID 724281

IUPACN-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-10(20)11-2-5-13(6-3-11)19-16(21)9-22-15-8-12(17)4-7-14(15)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyPKWUCSHYQQZZOD-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.21
Rot. Bonds5

About N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide

N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 724281) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
PubChem CID724281
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC NameN-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-10(20)11-2-5-13(6-3-11)19-16(21)9-22-15-8-12(17)4-7-14(15)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyPKWUCSHYQQZZOD-UHFFFAOYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129
2-(2,5-dichlorophenoxy)-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 46518487
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 19169315
N-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]acetamide
CID 51139075
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17360274
3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8578482
2-(2,5-dichlorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2588764

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide (CID 724281) is N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide is CC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is PKWUCSHYQQZZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-10(20)11-2-5-13(6-3-11)19-16(21)9-22-15-8-12(17)4-7-14(15)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide?
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 338.19 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 724281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).