N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide

C14H11Br3N2O2 — CID 17359500

IUPACN-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)NCc1ccccn1
InChIInChI=1S/C14H11Br3N2O2/c15-9-5-11(16)14(12(17)6-9)21-8-13(20)19-7-10-3-1-2-4-18-10/h1-6H,7-8H2,(H,19,20)
InChIKeyZEGUAGYILUFFEK-UHFFFAOYSA-N
MW478.97 g/mol
LogP4.06
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide

N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide (PubChem CID 17359500) has the molecular formula C14H11Br3N2O2 and a molecular weight of 478.97 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
PubChem CID17359500
Molecular FormulaC14H11Br3N2O2
Molecular Weight478.97 g/mol
Exact Mass475.84
IUPAC NameN-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)NCc1ccccn1
InChIInChI=1S/C14H11Br3N2O2/c15-9-5-11(16)14(12(17)6-9)21-8-13(20)19-7-10-3-1-2-4-18-10/h1-6H,7-8H2,(H,19,20)
InChIKeyZEGUAGYILUFFEK-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.97
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2,6-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 9414673
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
terbium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid
CID 10374019
3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 58458867
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
CID 100819848
2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999310

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide (CID 17359500) is N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide is O=C(COc1c(Br)cc(Br)cc1Br)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide?
The InChIKey is ZEGUAGYILUFFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3N2O2/c15-9-5-11(16)14(12(17)6-9)21-8-13(20)19-7-10-3-1-2-4-18-10/h1-6H,7-8H2,(H,19,20).
What are the key properties of N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide?
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide has a molecular weight of 478.97 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide is sourced from PubChem (CID 17359500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).