N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

C18H17Cl3N2O3 — CID 4899815

IUPACN-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1
InChIInChI=1S/C18H17Cl3N2O3/c1-9-15(19)10(2)17(21)18(16(9)20)26-8-14(25)23-13-6-4-12(5-7-13)22-11(3)24/h4-7H,8H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYMWCENJWRSZUQU-UHFFFAOYSA-N
MW415.70 g/mol
LogP5.24
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (PubChem CID 4899815) has the molecular formula C18H17Cl3N2O3 and a molecular weight of 415.70 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
PubChem CID4899815
Molecular FormulaC18H17Cl3N2O3
Molecular Weight415.70 g/mol
Exact Mass414.03
IUPAC NameN-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1
InChIInChI=1S/C18H17Cl3N2O3/c1-9-15(19)10(2)17(21)18(16(9)20)26-8-14(25)23-13-6-4-12(5-7-13)22-11(3)24/h4-7H,8H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYMWCENJWRSZUQU-UHFFFAOYSA-N
XLogP5.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.70
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17117574
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4665308
dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17117499
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17319465
N-(4-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064638
N-(4-acetamidophenyl)-2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxy]acetamide
CID 51043579
N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4305524
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
N-(4-butoxyphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178102
methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate
CID 134065126
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631709

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (CID 4899815) is N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is CC(=O)Nc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is YMWCENJWRSZUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O3/c1-9-15(19)10(2)17(21)18(16(9)20)26-8-14(25)23-13-6-4-12(5-7-13)22-11(3)24/h4-7H,8H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 415.70 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 4899815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).