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

C15H12BrCl3N2O2 — CID 4305524

IUPACN-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Br)cn2)c1Cl
InChIInChI=1S/C15H12BrCl3N2O2/c1-7-12(17)8(2)14(19)15(13(7)18)23-6-11(22)21-10-4-3-9(16)5-20-10/h3-5H,6H2,1-2H3,(H,20,21,22)
InChIKeyYTYWOLKSADSKEV-UHFFFAOYSA-N
MW438.54 g/mol
LogP5.44
Rot. Bonds4

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

N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (PubChem CID 4305524) has the molecular formula C15H12BrCl3N2O2 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
PubChem CID4305524
Molecular FormulaC15H12BrCl3N2O2
Molecular Weight438.54 g/mol
Exact Mass435.91
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Br)cn2)c1Cl
InChIInChI=1S/C15H12BrCl3N2O2/c1-7-12(17)8(2)14(19)15(13(7)18)23-6-11(22)21-10-4-3-9(16)5-20-10/h3-5H,6H2,1-2H3,(H,20,21,22)
InChIKeyYTYWOLKSADSKEV-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 1224606
N-(5-iodo-6-methyl-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117025
N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
CID 60655115
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4899815
N-(4-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064638
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17117574
dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17117499
N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
CID 115274006
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22778548

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (CID 4305524) is N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Br)cn2)c1Cl.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is YTYWOLKSADSKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl3N2O2/c1-7-12(17)8(2)14(19)15(13(7)18)23-6-11(22)21-10-4-3-9(16)5-20-10/h3-5H,6H2,1-2H3,(H,20,21,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 438.54 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 4305524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).