N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide

C15H13BrCl2N2O2 — CID 134064959

IUPACN-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
SMILESCc1nc(C)c(Cl)c(OCC(=O)Nc2ccccc2Br)c1Cl
InChIInChI=1S/C15H13BrCl2N2O2/c1-8-13(17)15(14(18)9(2)19-8)22-7-12(21)20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3,(H,20,21)
InChIKeyIXNMWHWOQNSBAH-UHFFFAOYSA-N
MW404.09 g/mol
LogP4.79
Rot. Bonds4

About N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide

N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide (PubChem CID 134064959) has the molecular formula C15H13BrCl2N2O2 and a molecular weight of 404.09 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
PubChem CID134064959
Molecular FormulaC15H13BrCl2N2O2
Molecular Weight404.09 g/mol
Exact Mass401.95
IUPAC NameN-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
SMILESCc1nc(C)c(Cl)c(OCC(=O)Nc2ccccc2Br)c1Cl
InChIInChI=1S/C15H13BrCl2N2O2/c1-8-13(17)15(14(18)9(2)19-8)22-7-12(21)20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3,(H,20,21)
InChIKeyIXNMWHWOQNSBAH-UHFFFAOYSA-N
XLogP4.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.09
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(2-hydroxyphenyl)acetamide
CID 134064912
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide
CID 115956327
N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558535
methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate
CID 134065126
3-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(2-methoxyphenyl)propanamide
CID 134064601
N-(2-bromophenyl)-2-(3-hydroxy-2-methylphenoxy)acetamide
CID 43143290
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 134064721
N-(2-bromophenyl)-2-quinoxalin-2-yloxyacetamide
CID 2096177
N-(3-chloro-4-fluorophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064495
2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 19178086
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide (CID 134064959) is N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide is Cc1nc(C)c(Cl)c(OCC(=O)Nc2ccccc2Br)c1Cl.
What is the InChIKey of N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide?
The InChIKey is IXNMWHWOQNSBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O2/c1-8-13(17)15(14(18)9(2)19-8)22-7-12(21)20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide?
N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide has a molecular weight of 404.09 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide is sourced from PubChem (CID 134064959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).