2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide

C17H19BrN2O2 — CID 17199667

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)NCc1cccnc1
InChIInChI=1S/C17H19BrN2O2/c1-12(2)15-8-14(18)5-6-16(15)22-11-17(21)20-10-13-4-3-7-19-9-13/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyBMUSDEOZKOPDQB-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.66
Rot. Bonds6

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 17199667) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID17199667
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)NCc1cccnc1
InChIInChI=1S/C17H19BrN2O2/c1-12(2)15-8-14(18)5-6-16(15)22-11-17(21)20-10-13-4-3-7-19-9-13/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyBMUSDEOZKOPDQB-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 17401622
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 4276516
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189087
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide (CID 17199667) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide is CC(C)c1cc(Br)ccc1OCC(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BMUSDEOZKOPDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12(2)15-8-14(18)5-6-16(15)22-11-17(21)20-10-13-4-3-7-19-9-13/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 363.26 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 17199667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).