2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide

C14H17BrN2O2 — CID 80604720

IUPAC2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(Br)cc1C#N
InChIInChI=1S/C14H17BrN2O2/c1-4-14(2,3)17-13(18)9-19-12-6-5-11(15)7-10(12)8-16/h5-7H,4,9H2,1-3H3,(H,17,18)
InChIKeyGLQJXHQWHDYHGD-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 80604720) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID80604720
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(Br)cc1C#N
InChIInChI=1S/C14H17BrN2O2/c1-4-14(2,3)17-13(18)9-19-12-6-5-11(15)7-10(12)8-16/h5-7H,4,9H2,1-3H3,(H,17,18)
InChIKeyGLQJXHQWHDYHGD-UHFFFAOYSA-N
XLogP3.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 78932283
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
2-(4-bromo-2-cyanophenoxy)-N-butylacetamide
CID 80602356
5-bromo-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910923
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
2-(4-bromo-2-cyanophenoxy)-N-(3-methoxypropyl)acetamide
CID 80601774
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide
CID 80611460
4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
tert-butyl N-[1-(4-bromo-2-cyanophenoxy)-2,4-dimethylpentan-2-yl]carbamate
CID 147484149

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 80604720) is 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1ccc(Br)cc1C#N.
What is the InChIKey of 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is GLQJXHQWHDYHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-4-14(2,3)17-13(18)9-19-12-6-5-11(15)7-10(12)8-16/h5-7H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 325.21 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 80604720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).