3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide

C11H11BrN2O2 — CID 83144792

IUPAC3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide
SMILESCC(COc1ccc(Br)cc1C#N)C(N)=O
InChIInChI=1S/C11H11BrN2O2/c1-7(11(14)15)6-16-10-3-2-9(12)4-8(10)5-13/h2-4,7H,6H2,1H3,(H2,14,15)
InChIKeyBEWIQOJBGBKROH-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.82
Rot. Bonds4

About 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide

3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide (PubChem CID 83144792) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide
PubChem CID83144792
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide
SMILESCC(COc1ccc(Br)cc1C#N)C(N)=O
InChIInChI=1S/C11H11BrN2O2/c1-7(11(14)15)6-16-10-3-2-9(12)4-8(10)5-13/h2-4,7H,6H2,1H3,(H2,14,15)
InChIKeyBEWIQOJBGBKROH-UHFFFAOYSA-N
XLogP1.82
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]-2-methylpropanamide
CID 63058356
5-bromo-2-(3-methylbutoxy)benzonitrile
CID 83146127
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815
(4-bromo-2-cyanophenyl) 3,3-dimethylbutanoate
CID 90986250
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
(2S)-2-(5-bromo-2-cyanophenoxy)propanoic acid
CID 131211264
3-(3-amino-2-methyl-3-oxopropoxy)-4-methylbenzoic acid
CID 61379968
2-(4-bromo-2-cyanophenoxy)butanoic acid
CID 83145907
2-(4-bromo-2-cyanophenoxy)-3-methylbutanehydrazide
CID 83145468
5-bromo-2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 83136320
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide?
The IUPAC name of 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide (CID 83144792) is 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide?
The canonical SMILES for 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide is CC(COc1ccc(Br)cc1C#N)C(N)=O.
What is the InChIKey of 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide?
The InChIKey is BEWIQOJBGBKROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7(11(14)15)6-16-10-3-2-9(12)4-8(10)5-13/h2-4,7H,6H2,1H3,(H2,14,15).
What are the key properties of 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide?
3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide has a molecular weight of 283.12 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-cyanophenoxy)-2-methylpropanamide is sourced from PubChem (CID 83144792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).